solidagenone

(4R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one

An anti ulcer agent

[PubChem] [DrugBank] [Wikipedia] [WikiGenes] [ChEMBL] [ChemSpider] 



Source SMILES: standardizedunstandardized
Compound:
Screen ID SGTC_2545
Screen concentration 89.6 μM
Source Microsource (Natural product library)
PubChem CID 6708572
SMILES CC1=CC(=O)C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C
Standardized SMILES CC1=CC(=O)C2C(C)(C)CCCC2(C)C1(O)CCc3cocc3
Molecular weight 316.4345
ALogP 4.01
H-bond donor count 1
H-bond acceptor count 3
Response signature

Pool Growth Kinetics
% growth inhibition (Het. pool) 8.7
% growth inhibition (Hom. pool) 3.6


HIP profile

Heterozygous deletion strains
Scale: fixedexpanded
Heterozygous profile for 6708572
Download HIP data (tab-delimited text)  (excel)
Gene:CLP1(YOR250C)|FD-Score:4.21|P-value:1.29E-5|Clearance:1.39||SGD DESC:Component of the cleavage and polyadenylation factor I (CF I); CF 1, composed of the CF 1A complex (Rna14p, Rna15p, Clp1p, Pcf11p) and Hrp1, is involved in cleavage and polyadenylation of mRNA 3' ends; involved in both the endonucleolyitc cleavage and polyadenylation steps of mRNA 3'-end maturation Gene:NSE3(YDR288W)|FD-Score:-3.51|P-value:2.21E-4|Clearance:0||SGD DESC:Component of the SMC5-SMC6 complex; this complex plays a key role in the removal of X-shaped DNA structures that arise between sister chromatids during DNA replication and repair; protein abundance increases in response to DNA replication stress Gene:UTP7(YER082C)|FD-Score:-3.15|P-value:8.16E-4|Clearance:0||SGD DESC:Nucleolar protein, component of the small subunit (SSU) processome containing the U3 snoRNA that is involved in processing of pre-18S rRNA Gene:CLP1(YOR250C)|FD-Score:4.21|P-value:1.29E-5|Clearance:1.39||SGD DESC:Component of the cleavage and polyadenylation factor I (CF I); CF 1, composed of the CF 1A complex (Rna14p, Rna15p, Clp1p, Pcf11p) and Hrp1, is involved in cleavage and polyadenylation of mRNA 3' ends; involved in both the endonucleolyitc cleavage and polyadenylation steps of mRNA 3'-end maturation Gene:NSE3(YDR288W)|FD-Score:-3.51|P-value:2.21E-4|Clearance:0||SGD DESC:Component of the SMC5-SMC6 complex; this complex plays a key role in the removal of X-shaped DNA structures that arise between sister chromatids during DNA replication and repair; protein abundance increases in response to DNA replication stress Gene:UTP7(YER082C)|FD-Score:-3.15|P-value:8.16E-4|Clearance:0||SGD DESC:Nucleolar protein, component of the small subunit (SSU) processome containing the U3 snoRNA that is involved in processing of pre-18S rRNA

HOP profile

Homozygous deletion strains
Scale: fixedexpanded
Homozygous profile for 6708572
Download HOP data (tab-delimited text)  (excel)
Gene:BTS1(YPL069C)|FD-Score:-3.29|P-value:5.00E-4||SGD DESC:Geranylgeranyl diphosphate synthase, increases the intracellular pool of geranylgeranyl diphosphate, suppressor of bet2 mutation that causes defective geranylgeranylation of small GTP-binding proteins that mediate vesicular traffic Gene:DAL82(YNL314W)|FD-Score:3.43|P-value:3.04E-4||SGD DESC:Positive regulator of allophanate inducible genes; binds a dodecanucleotide sequence upstream of all genes that are induced by allophanate; contains an UISALL DNA-binding, a transcriptional activation, and a coiled-coil domain Gene:DAP2(YHR028C)|FD-Score:-3.74|P-value:9.23E-5||SGD DESC:Dipeptidyl aminopeptidase, synthesized as a glycosylated precursor; localizes to the vacuolar membrane; similar to Ste13p Gene:EFG1(YGR271C-A)|FD-Score:-3.21|P-value:6.71E-4||SGD DESC:Essential protein required for maturation of 18S rRNA; null mutant is sensitive to hydroxyurea and is delayed in recovering from alpha-factor arrest; green fluorescent protein (GFP)-fusion protein localizes to the nucleolus Gene:FMP33(YJL161W_p)|FD-Score:3.39|P-value:3.51E-4||SGD DESC:Putative protein of unknown function; the authentic, non-tagged protein is detected in highly purified mitochondria in high-throughput studies Gene:MSS2(YDL107W)|FD-Score:-3.1|P-value:9.55E-4||SGD DESC:Peripherally bound inner membrane protein of the mitochondrial matrix involved in membrane insertion of C-terminus of Cox2p, interacts genetically and physically with Cox18p Gene:MTC7(YEL033W_p)|FD-Score:-3.77|P-value:8.16E-5||SGD DESC:Predicted metabolic role based on network analysis derived from ChIP experiments, a large-scale deletion study and localization of transcription factor binding sites; null mutant is sensitive to temperature oscillation in a cdc13-1 mutant Gene:PEX18(YHR160C)|FD-Score:3.24|P-value:5.90E-4||SGD DESC:Peroxin required for targeting of peroxisomal matrix proteins containing PTS2; interacts with Pex7p; partially redundant with Pex21p Gene:RGT1(YKL038W)|FD-Score:-3.7|P-value:1.09E-4||SGD DESC:Glucose-responsive transcription factor; regulates expression of several glucose transporter (HXT) genes in response to glucose; binds to promoters and acts both as a transcriptional activator and repressor; RGT1 has a paralog, EDS1, that arose from the whole genome duplication Gene:RIM20(YOR275C)|FD-Score:3.66|P-value:1.28E-4||SGD DESC:Protein involved in proteolytic activation of Rim101p in response to alkaline pH; PalA/AIP1/Alix family member; interaction with the ESCRT-III subunit Snf7p suggests a relationship between pH response and multivesicular body formation Gene:RPL19B(YBL027W)|FD-Score:3.1|P-value:9.56E-4||SGD DESC:Ribosomal 60S subunit protein L19B; rpl19a and rpl19b single null mutations result in slow growth, while the double null mutation is lethal; homologous to mammalian ribosomal protein L19, no bacterial homolog; RPL19B has a paralog, RPL19A, that arose from the whole genome duplication Gene:RPN4(YDL020C)|FD-Score:-3.5|P-value:2.37E-4||SGD DESC:Transcription factor that stimulates expression of proteasome genes; Rpn4p levels are in turn regulated by the 26S proteasome in a negative feedback control mechanism; RPN4 is transcriptionally regulated by various stress responses; relative distribution to the nucleus increases upon DNA replication stress Gene:RRT1(YBL048W_d)|FD-Score:-3.61|P-value:1.51E-4||SGD DESC:Identified in a screen for mutants with increased levels of rDNA transcription; dubious open reading frame unlikely to encode a protein, based on experimental and comparative sequence data Gene:SAK1(YER129W)|FD-Score:-3.34|P-value:4.19E-4||SGD DESC:Upstream serine/threonine kinase for the SNF1 complex; partially redundant with Elm1p and Tos3p; members of this family have functional orthology with LKB1, a mammalian kinase associated with Peutz-Jeghers cancer-susceptibility syndrome Gene:SNX4(YJL036W)|FD-Score:3.96|P-value:3.70E-5||SGD DESC:Sorting nexin, involved in retrieval of late-Golgi SNAREs from post-Golgi endosomes to the trans-Golgi network and in cytoplasm to vacuole transport; contains a PX phosphoinositide-binding domain; forms complexes with Snx41p and with Atg20p Gene:TPN1(YGL186C)|FD-Score:3.12|P-value:9.08E-4||SGD DESC:Plasma membrane pyridoxine (vitamin B6) transporter; member of the purine-cytosine permease subfamily within the major facilitator superfamily; proton symporter with similarity to Fcy21p, Fcy2p, and Fcy22p Gene:TPO4(YOR273C)|FD-Score:-3.14|P-value:8.31E-4||SGD DESC:Polyamine transporter of the major facilitator superfamily; member of the 12-spanner drug:H(+) antiporter DHA1 family; recognizes spermine, putrescine, and spermidine; localizes to the plasma membrane Gene:UTP30(YKR060W)|FD-Score:-3.41|P-value:3.21E-4||SGD DESC:Putative subunit of U3-containing 90S preribosome complex; complex is involved in production of 18S rRNA and assembly of small ribosomal subunit Gene:YDR541C(YDR541C_p)|FD-Score:-3.89|P-value:4.98E-5||SGD DESC:Putative dihydrokaempferol 4-reductase Gene:YML096W(YML096W_p)|FD-Score:-3.14|P-value:8.47E-4||SGD DESC:Putative protein of unknown function with similarity to asparagine synthetases; green fluorescent protein (GFP)-fusion protein localizes to the cytoplasm; YML096W is not an essential gene and partially overlaps the verified gene RAD10 Gene:YMR018W(YMR018W_p)|FD-Score:-3.77|P-value:8.08E-5||SGD DESC:Putative protein of unknown function with similarity to human PEX5Rp (peroxin protein 5 related protein); transcription increases during colony development similar to genes involved in peroxisome biogenesis; YMR018W is not an essential gene Gene:YPR063C(YPR063C_p)|FD-Score:3.59|P-value:1.64E-4||SGD DESC:ER-localized protein of unknown function Gene:BTS1(YPL069C)|FD-Score:-3.29|P-value:5.00E-4||SGD DESC:Geranylgeranyl diphosphate synthase, increases the intracellular pool of geranylgeranyl diphosphate, suppressor of bet2 mutation that causes defective geranylgeranylation of small GTP-binding proteins that mediate vesicular traffic Gene:DAL82(YNL314W)|FD-Score:3.43|P-value:3.04E-4||SGD DESC:Positive regulator of allophanate inducible genes; binds a dodecanucleotide sequence upstream of all genes that are induced by allophanate; contains an UISALL DNA-binding, a transcriptional activation, and a coiled-coil domain Gene:DAP2(YHR028C)|FD-Score:-3.74|P-value:9.23E-5||SGD DESC:Dipeptidyl aminopeptidase, synthesized as a glycosylated precursor; localizes to the vacuolar membrane; similar to Ste13p Gene:EFG1(YGR271C-A)|FD-Score:-3.21|P-value:6.71E-4||SGD DESC:Essential protein required for maturation of 18S rRNA; null mutant is sensitive to hydroxyurea and is delayed in recovering from alpha-factor arrest; green fluorescent protein (GFP)-fusion protein localizes to the nucleolus Gene:FMP33(YJL161W_p)|FD-Score:3.39|P-value:3.51E-4||SGD DESC:Putative protein of unknown function; the authentic, non-tagged protein is detected in highly purified mitochondria in high-throughput studies Gene:MSS2(YDL107W)|FD-Score:-3.1|P-value:9.55E-4||SGD DESC:Peripherally bound inner membrane protein of the mitochondrial matrix involved in membrane insertion of C-terminus of Cox2p, interacts genetically and physically with Cox18p Gene:MTC7(YEL033W_p)|FD-Score:-3.77|P-value:8.16E-5||SGD DESC:Predicted metabolic role based on network analysis derived from ChIP experiments, a large-scale deletion study and localization of transcription factor binding sites; null mutant is sensitive to temperature oscillation in a cdc13-1 mutant Gene:PEX18(YHR160C)|FD-Score:3.24|P-value:5.90E-4||SGD DESC:Peroxin required for targeting of peroxisomal matrix proteins containing PTS2; interacts with Pex7p; partially redundant with Pex21p Gene:RGT1(YKL038W)|FD-Score:-3.7|P-value:1.09E-4||SGD DESC:Glucose-responsive transcription factor; regulates expression of several glucose transporter (HXT) genes in response to glucose; binds to promoters and acts both as a transcriptional activator and repressor; RGT1 has a paralog, EDS1, that arose from the whole genome duplication Gene:RIM20(YOR275C)|FD-Score:3.66|P-value:1.28E-4||SGD DESC:Protein involved in proteolytic activation of Rim101p in response to alkaline pH; PalA/AIP1/Alix family member; interaction with the ESCRT-III subunit Snf7p suggests a relationship between pH response and multivesicular body formation Gene:RPL19B(YBL027W)|FD-Score:3.1|P-value:9.56E-4||SGD DESC:Ribosomal 60S subunit protein L19B; rpl19a and rpl19b single null mutations result in slow growth, while the double null mutation is lethal; homologous to mammalian ribosomal protein L19, no bacterial homolog; RPL19B has a paralog, RPL19A, that arose from the whole genome duplication Gene:RPN4(YDL020C)|FD-Score:-3.5|P-value:2.37E-4||SGD DESC:Transcription factor that stimulates expression of proteasome genes; Rpn4p levels are in turn regulated by the 26S proteasome in a negative feedback control mechanism; RPN4 is transcriptionally regulated by various stress responses; relative distribution to the nucleus increases upon DNA replication stress Gene:RRT1(YBL048W_d)|FD-Score:-3.61|P-value:1.51E-4||SGD DESC:Identified in a screen for mutants with increased levels of rDNA transcription; dubious open reading frame unlikely to encode a protein, based on experimental and comparative sequence data Gene:SAK1(YER129W)|FD-Score:-3.34|P-value:4.19E-4||SGD DESC:Upstream serine/threonine kinase for the SNF1 complex; partially redundant with Elm1p and Tos3p; members of this family have functional orthology with LKB1, a mammalian kinase associated with Peutz-Jeghers cancer-susceptibility syndrome Gene:SNX4(YJL036W)|FD-Score:3.96|P-value:3.70E-5||SGD DESC:Sorting nexin, involved in retrieval of late-Golgi SNAREs from post-Golgi endosomes to the trans-Golgi network and in cytoplasm to vacuole transport; contains a PX phosphoinositide-binding domain; forms complexes with Snx41p and with Atg20p Gene:TPN1(YGL186C)|FD-Score:3.12|P-value:9.08E-4||SGD DESC:Plasma membrane pyridoxine (vitamin B6) transporter; member of the purine-cytosine permease subfamily within the major facilitator superfamily; proton symporter with similarity to Fcy21p, Fcy2p, and Fcy22p Gene:TPO4(YOR273C)|FD-Score:-3.14|P-value:8.31E-4||SGD DESC:Polyamine transporter of the major facilitator superfamily; member of the 12-spanner drug:H(+) antiporter DHA1 family; recognizes spermine, putrescine, and spermidine; localizes to the plasma membrane Gene:UTP30(YKR060W)|FD-Score:-3.41|P-value:3.21E-4||SGD DESC:Putative subunit of U3-containing 90S preribosome complex; complex is involved in production of 18S rRNA and assembly of small ribosomal subunit Gene:YDR541C(YDR541C_p)|FD-Score:-3.89|P-value:4.98E-5||SGD DESC:Putative dihydrokaempferol 4-reductase Gene:YML096W(YML096W_p)|FD-Score:-3.14|P-value:8.47E-4||SGD DESC:Putative protein of unknown function with similarity to asparagine synthetases; green fluorescent protein (GFP)-fusion protein localizes to the cytoplasm; YML096W is not an essential gene and partially overlaps the verified gene RAD10 Gene:YMR018W(YMR018W_p)|FD-Score:-3.77|P-value:8.08E-5||SGD DESC:Putative protein of unknown function with similarity to human PEX5Rp (peroxin protein 5 related protein); transcription increases during colony development similar to genes involved in peroxisome biogenesis; YMR018W is not an essential gene Gene:YPR063C(YPR063C_p)|FD-Score:3.59|P-value:1.64E-4||SGD DESC:ER-localized protein of unknown function

Click on Significant Values for Strain Details

Top 15 HET fitness defect scores (HIP)

Download all HIP Data (tab-delimited text)  (excel)
Deletion Strain FD score P-value Clearance Gene Gene Description
YOR250C4.211.29E-51.39CLP1Component of the cleavage and polyadenylation factor I (CF I); CF 1, composed of the CF 1A complex (Rna14p, Rna15p, Clp1p, Pcf11p) and Hrp1, is involved in cleavage and polyadenylation of mRNA 3' ends; involved in both the endonucleolyitc cleavage and polyadenylation steps of mRNA 3'-end maturation
YKL059C2.820.002420.01MPE1Essential conserved subunit of CPF (cleavage and polyadenylation factor), plays a role in 3' end formation of mRNA via the specific cleavage and polyadenylation of pre-mRNA, contains a putative RNA-binding zinc knuckle motif
YOR095C2.800.002530.20RKI1Ribose-5-phosphate ketol-isomerase, catalyzes the interconversion of ribose 5-phosphate and ribulose 5-phosphate in the pentose phosphate pathway; participates in pyridoxine biosynthesis
YFL024C2.600.004620.03EPL1Subunit of NuA4, an essential histone H4/H2A acetyltransferase complex; conserved region at N-terminus is essential for interaction with the NPC (nucleosome core particle); required for autophagy; homologous to Drosophila Enhancer of Polycomb
YFL009W2.570.005050.13CDC4F-box protein required for G1/S and G2/M transition, associates with Skp1p and Cdc53p to form a complex, SCFCdc4, which acts as ubiquitin-protein ligase directing ubiquitination of the phosphorylated CDK inhibitor Sic1p
YNL306W2.440.007330.03MRPS18Mitochondrial ribosomal protein of the small subunit; essential for viability, unlike most other mitoribosomal proteins
YGL128C2.410.007930.02CWC23Component of a complex containing Cef1p, putatively involved in pre-mRNA splicing; has similarity to E. coli DnaJ and other DnaJ-like proteins and to S. pombe Cwf23p
YPL146C2.390.008380.03NOP53Nucleolar protein; involved in biogenesis of the 60S subunit of the ribosome; interacts with rRNA processing factors Cbf5p and Nop2p; null mutant is viable but growth is severely impaired
YDR376W2.360.009060.02ARH1Oxidoreductase of the mitochondrial inner membrane, involved in cytoplasmic and mitochondrial iron homeostasis and required for activity of Fe-S cluster-containing enzymes; one of the few mitochondrial proteins essential for viability
YBL050W2.340.009660.12SEC17Peripheral membrane protein required for vesicular transport between ER and Golgi, the 'priming' step in homotypic vacuole fusion, and autophagy; stimulates the ATPase activity of Sec18p; has similarity to mammalian alpha-SNAP
YDR407C2.220.013100.03TRS120One of 10 subunits of the transport protein particle (TRAPP) complex of the cis-Golgi which mediates vesicle docking and fusion; involved in endoplasmic reticulum (ER) to Golgi membrane traffic
YGL001C2.190.014200.02ERG26C-3 sterol dehydrogenase, catalyzes the second of three steps required to remove two C-4 methyl groups from an intermediate in ergosterol biosynthesis
YNL260C_p2.170.015000.03LTO1_pEssential protein that forms a complex with Rli1p and Yae1p; ortholog of human ORAOV1, which is overexpressed in solid tumors; inviability of null mutant under standard conditions is complemented by overexpression of ORAOV1; essential for growth under standard (aerobic) conditions but not under anaerobic conditions; may have a role in protection of ribosomal assembly and function from damage due to reactive oxygen species
YKL089W2.140.016200.02MIF2Protein required for structural integrity of elongating spindles; localizes to the kinetochore; interacts with histones H2A, H2B, and H4; phosphorylated by Ipl1p; orthologous to human centromere constitutive-associated network (CCAN) subunit CENP-C and fission yeast cnp3
YMR229C2.120.017200.01RRP5RNA binding protein involved in synthesis of both 18S and 5.8S rRNAs; component of both the ribosomal small subunit (SSU) processosome and the 90S preribosome; has binding preference for single stranded tracts of U's; relocalizes from nucleolus to nucleus upon DNA replication stress

Top 15 HOM fitness defect scores (HOP)

Download all HOP Data (tab-delimited text)  (excel)
Deletion Strain FD score P-value Gene Gene Description
YJL036W3.963.70E-5SNX4Sorting nexin, involved in retrieval of late-Golgi SNAREs from post-Golgi endosomes to the trans-Golgi network and in cytoplasm to vacuole transport; contains a PX phosphoinositide-binding domain; forms complexes with Snx41p and with Atg20p
YOR275C3.661.28E-4RIM20Protein involved in proteolytic activation of Rim101p in response to alkaline pH; PalA/AIP1/Alix family member; interaction with the ESCRT-III subunit Snf7p suggests a relationship between pH response and multivesicular body formation
YPR063C_p3.591.64E-4YPR063C_pER-localized protein of unknown function
YNL314W3.433.04E-4DAL82Positive regulator of allophanate inducible genes; binds a dodecanucleotide sequence upstream of all genes that are induced by allophanate; contains an UISALL DNA-binding, a transcriptional activation, and a coiled-coil domain
YJL161W_p3.393.51E-4FMP33_pPutative protein of unknown function; the authentic, non-tagged protein is detected in highly purified mitochondria in high-throughput studies
YHR160C3.245.90E-4PEX18Peroxin required for targeting of peroxisomal matrix proteins containing PTS2; interacts with Pex7p; partially redundant with Pex21p
YGL186C3.129.08E-4TPN1Plasma membrane pyridoxine (vitamin B6) transporter; member of the purine-cytosine permease subfamily within the major facilitator superfamily; proton symporter with similarity to Fcy21p, Fcy2p, and Fcy22p
YBL027W3.109.56E-4RPL19BRibosomal 60S subunit protein L19B; rpl19a and rpl19b single null mutations result in slow growth, while the double null mutation is lethal; homologous to mammalian ribosomal protein L19, no bacterial homolog; RPL19B has a paralog, RPL19A, that arose from the whole genome duplication
YKL098W3.020.00127MTC2Protein of unknown function; mtc2 is synthetically sick with cdc13-1
YGR169C-A_p2.970.00149YGR169C-A_pPutative protein of unknown function; YGR169C-A has a paralog, YJR005C-A, that arose from the whole genome duplication
YDL119C_p2.960.00154YDL119C_pPutative mitochondrial transport protein; GFP-fusion protein is induced in response to the DNA-damaging agent MMS; the authentic, non-tagged protein is detected in purified mitochondria
YJR145C2.940.00165RPS4AProtein component of the small (40S) ribosomal subunit; mutation affects 20S pre-rRNA processing; homologous to mammalian ribosomal protein S4, no bacterial homolog; RPS4A has a paralog, RPS4B, that arose from the whole genome duplication
YJR142W_p2.920.00175YJR142W_pPutative protein of unknown function; GST fusion protein is a Dbf2p-Mob1p phosphorylation target in a proteome chip analysis; synthetic lethal with PH085 deletion; plays a role in restricting Ty1 transposition; nudix hydrolase family member
YPR059C_d2.840.00224YPR059C_dDubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; partially overlaps the verified gene YMC1/YPR058W
YER049W2.820.00242TPA1Poly(rA)-binding protein involved in translation termination efficiency, mRNA poly(A) tail length and mRNA stability; interacts with Sup45p (eRF1), Sup35p (eRF3) and Pab1p; similar to prolyl 4-hydroxylases; binds Fe(III) and 2-oxoglutarate

GO enrichment analysis for SGTC_2545
No biological processes are significantly enriched (FDR < 0.1).

No protein complexes are significantly enriched (FDR < 0.1).

Coinhibitory screens
Download Coinhibition data (tab-delimited text)  (excel)

Correlation pval Screen ID Condition Source PubChem
CID
Tanimoto
Score
Response
Signature
0.1452.90E-29SGTC_2551apiole 73.9 μMMicrosource (Natural product library)106590.0810811
0.1381.35E-26SGTC_2550chrysin dimethyl ether 71.9 μMMicrosource (Natural product library)888810.105263
0.0898.89E-12SGTC_9373122-0005 46.7 μMChemDiv (Drug-like library)7595350.0512821
0.0872.60E-11SGTC_7181130-0073 349.0 μMChemDiv (Drug-like library)67400200.0493827
0.0758.34E-9SGTC_1969st069479 40.1 μMTimTec (Natural product derivative library)38954850.0740741
0.0741.15E-8SGTC_5264469-0568 170.0 μMChemDiv (Drug-like library)29019640.0759494azole & statin
0.0741.24E-8SGTC_1606st000094 49.2 μMTimTec (Natural product derivative library)12422100.090909160S ribosome export
0.0722.80E-8SGTC_2414st077232 92.9 μMTimTec (Natural product derivative library)7298010.0958904
0.0691.17E-7SGTC_32469135460 33.0 μMChembridge (Drug-like library)414469510.0740741
0.0663.77E-7SGTC_15258-methoxypsoralen 92.5 μMTimTec (Pure natural product library)41140.108108DNA damage response
0.0664.18E-7SGTC_32659137266 49.5 μMChembridge (Drug-like library)172242650.0875
0.0641.04E-6SGTC_1472k841-0093 193.0 μMChemDiv (Drug-like library)X14720.097561
0.0631.26E-6SGTC_29157971052 15.2 μMChembridge (Drug-like library)57415580.0681818
0.0631.34E-6SGTC_1100850-0284 111.6 μMChemDiv (Drug-like library)39062650.0681818
0.0612.28E-6SGTC_32039113543 49.5 μMChembridge (Drug-like library)170180120.0810811

Screens with compounds having similar structures
Screen ID Chemical Concentration Tanimoto Score PubChem ID Source Molecular Weight AlogP H-bond
donor
count
H-bond
acceptor
count
Response
Signature
SGTC_1125tnp002481.33 μM0.21538524207736TimTec (Natural product library)250.376443.49502
SGTC_1570verbenone133 μM0.20689729025TimTec (Pure natural product library)150.217562.08201
SGTC_26373-alpha-acetoxydihydrodeoxygedunin100 μM0.2022476708514Microsource (Natural product library)512.63444.51907
SGTC_2517totarol10 μM0.194444460178Microsource (Natural product library)286.45166.00411
SGTC_3112912341949.47 μM0.18571417015854Chembridge (Drug-like library)269.338263.78202RPP1 & pyrimidine depletion
SGTC_2653dihydrofissinolide100 μM0.1836736857746Microsource (Natural product library)514.607223.40808
SGTC_12660828-022732.9 μM0.1818183913820ChemDiv (Drug-like library)212.200822.2403
SGTC_1654st01243641.8 μM0.1794874323132TimTec (Natural product derivative library)372.540843.80613
SGTC_489paxilline115 μM0.173913105008ICCB bioactive library435.555223.934PDR1
SGTC_12360330-0013258 μM0.1739134617066ChemDiv (Drug-like library)262.347381.96212