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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 Gossypetin | Articulatidin | Equisporol
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

Sources

  • PubChem BioAssays
  • Scientific Literature

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

Structural Alerts

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

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
BindingDB 26655
Brenda 127260 34679 91268
ChEBI 16400
eMolecules 4368492
EPA CompTox Dashboard DTXSID50197631
FDA SRS SET4M23ZTM
IBM Patent System 65645FD1ABEA54AEE9427BAD437F0490
KEGG Ligand C04109
LINCS LSM-36971
LipidMaps LMPK12113231
Mcule MCULE-3233813708
Metabolights MTBLC16400
Nikkaji J94.551J
PubChem 5280647
PubChem: Thomson Pharma 15494419
SureChEMBL SCHEMBL157033
ZINC ZINC000006525297

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