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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL138649
CHEMBL138649
Compound Name 6-HYDROXYFLAVONE
ChEMBL Synonyms NSC-26744
Max Phase 0
Trade Names
Molecular Formula C15H10O3

Additional synonyms for CHEMBL138649 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2OC(=CC(=O)c2c1)c3ccccc3
Standard InChI InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10- ...
Download InChI
Standard InChI Key GPZYYYGYCRFPBU-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL138649

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
238.2 238.063 2.89 1 46.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.98 - 4.45 4.43 2 18 0.83

Structural Alerts

There are 2 structural alerts for CHEMBL138649. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GPZYYYGYCRFPBU-UHFFFAOYSA-N
PubChem SID: 26664404
Wikipedia 6-Hydroxyflavone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL138649



ACToR 6665-83-4
BindingDB 50081950
Brenda 8461
ChEBI 34472
eMolecules 505763
EPA CompTox Dashboard DTXSID8022327
FDA SRS 148S6Z78H6
IBM Patent System 697EA649D0AABA609CECD7062D9B9AB0
KEGG Ligand C14137
Mcule MCULE-9337240832
Nikkaji J298.052E
PubChem 72279
PubChem: Thomson Pharma 14994958
SureChEMBL SCHEMBL676594
ZINC ZINC000000057677

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