ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL210635
CHEMBL210635
Compound Name GENKWANIN
ChEMBL Synonyms Genkwanin | 7-O-Methylapigenin | Gonkwanin
Max Phase 0
Trade Names
Molecular Formula C16H12O5

Additional synonyms for CHEMBL210635 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)cc3
Standard InChI InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7- ...
Download InChI
Standard InChI Key JPMYFOBNRRGFNO-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL210635

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
284.3 284.0685 2.64 2 75.99 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.36 - 3.13 2.05 2 21 0.89

Structural Alerts

There are 3 structural alerts for CHEMBL210635. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JPMYFOBNRRGFNO-UHFFFAOYSA-N
Wikipedia Genkwanin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL210635



ACToR 437-64-9
BindingDB 50187658
ChEBI 75718
eMolecules 890555
EPA CompTox Dashboard DTXSID80195908
FDA SRS 5K3I5D6B2B
IBM Patent System 1E53CD8DB10E014F76ECEE6069B3D31D
KEGG Ligand C10046
LipidMaps LMPK12111018
Mcule MCULE-4718928065
Nikkaji J61.256A
PubChem 5281617
PubChem: Thomson Pharma 14948337
SureChEMBL SCHEMBL866123
ZINC ZINC05732375

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