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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
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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