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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL253570
CHEMBL253570
Compound Name GOSSYPETIN
ChEMBL Synonyms Equisporol | Articulatidin | Gossypetin
Max Phase 0
Trade Names
Molecular Formula C15H10O8

Additional synonyms for CHEMBL253570 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=C(Oc2c(O)c(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
Standard InChI InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(1 ...
Download InChI
Standard InChI Key YRRAGUMVDQQZIY-UHFFFAOYSA-N

Structural Alerts

There are 13 structural alerts for CHEMBL253570. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL253570

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
318.2 318.0376 1.39 1 147.68 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 6 1 8 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.47 - 1.01 -.18 2 23 0.34

Compound Cross References

ChemSpider ChemSpider:YRRAGUMVDQQZIY-UHFFFAOYSA-N
PubChem SID: 26750048
Wikipedia Gossypetin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL253570



ACToR 489-35-0
BindinDB 26655
ChEBI 16400
eMolecules 4368492
FDA SRS SET4M23ZTM
IBM Patent System 65645FD1ABEA54AEE9427BAD437F0490
IBM Patents US20080213198 US20050049230 EP1355898A1 EP1395250A1 US20040161437 WO2002060889A1 EP1371358A2 EP1492488A2 WO2002053120A2 WO2003035238A2 WO1995031194A1 US7491846 US20030118621 EP1370218A2 US20080038300 EP1259221A1 US7550014 EP0742012A2 US20050106199 US5952391 US20040258647 US20050074471 WO2004064712A2 WO2001007008A1 WO2005065667A2 US6682695 WO2002053119A2 US7803902 WO2002038136A2 US20100075005 US20030031588 WO2005022167A2 US20050037036 EP0991318A1 WO2002038181A2 US4774229 WO2002034073A2 US20100016218 US20080009451 WO2003053336A2 US20080076833 EP1335714B1 EP2111122A2 WO2005025527A1 US20070116779 WO2006128032A3 EP1281388A1 WO2006094233A1 US20040234458 EP1455778A2 US6555523 EP1583566A1 US20090156485 EP1537849A1 WO2009026657A1 WO2004009137A2 EP1805191A1 WO2006029483A1 WO2001003747A1 EP1351716B1 EP1228769A1 EP1213025A1 US20040234559 US20030152598 US20040059100 US20060216251 WO2001080855A1 US20040109882 US20080194715 US20020176882 US20050053634 US20100150895 EP1057475A1 WO2002074264A2 EP1401504B1 EP1561476A1 EP1708689A2 EP1964918A1 US20030064000 WO2005102266A1 WO2003039492A1 EP1539254A2 EP0971743A1 WO2009060014A2 EP1799228A1 US7811594 WO2004004670A2 US7323187 EP0998898B1 US20060052438 US20090092644 EP1371357B1 US20080176811 WO2002076519A1 EP1377252A2 EP1351716A1 US20040197279 WO2009058273A1 EP1347768A1 WO2007110801A2
KEGG Ligand C04109
Nikkaji J94.551J
PubChem 5280647
PubChem: Thomson Pharma 15494419
SureChEMBL SCHEMBL157033
ZINC ZINC06525297

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/YRRAGUMVDQQZIY-UHFFFAOYSA-N spacer
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