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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL294009
CHEMBL294009
Compound Name FLAVONOL
ChEMBL Synonyms NSC-57653 | NCI-57653
Max Phase 0
Trade Names
Molecular Formula C15H10O3

Additional synonyms for CHEMBL294009 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=C(Oc2ccccc2C1=O)c3ccccc3
Standard InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10- ...
Download InChI
Standard InChI Key HVQAJTFOCKOKIN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL294009

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 3.17 1 50.44 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
8.8 - 3.48 3.46 3 18 0.71

Structural Alerts

There are 3 structural alerts for CHEMBL294009. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HVQAJTFOCKOKIN-UHFFFAOYSA-N
PubChem SID: 26749665 SID: 93576733
Wikipedia 3-Hydroxyflavone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL294009



ACToR 577-85-5
BindingDB 50187668
Brenda 4291 51648
ChEBI 5078
ChemicalBook CB4414838
eMolecules 539159
EPA CompTox Dashboard DTXSID4060365
FDA SRS ZTG9LSS5QH
Human Metabolome Database HMDB0031816
IBM Patent System D2F9A4632A268D6C941057513118D282
KEGG Ligand C01495
Mcule MCULE-8535739842
MolPort MolPort-000-675-877
Nikkaji J1.628D
PubChem 11349
PubChem: Thomson Pharma 15069119
SureChEMBL SCHEMBL20246
ZINC ZINC000000057675

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