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 | Gonkwanin | 7-O-Methylapigenin
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

Structural Alerts

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

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

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
FDA SRS 5K3I5D6B2B
IBM Patent System 1E53CD8DB10E014F76ECEE6069B3D31D
KEGG Ligand C10046
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