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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL484662
CHEMBL484662
Compound Name
ChEMBL Synonyms 5,4'-Dihydroxyflavone
Max Phase 0
Trade Names
Molecular Formula C15H10O4

Additional synonyms for CHEMBL484662 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C2=CC(=O)c3c(O)cccc3O2
Standard InChI InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2- ...
Download InChI
Standard InChI Key OKRNDQLCMXUCGG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL484662

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
254.2 254.0579 2.87 1 70.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.78 - 2.58 1.86 3 19 0.7

Structural Alerts

There are 2 structural alerts for CHEMBL484662. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OKRNDQLCMXUCGG-UHFFFAOYSA-N
PubChem SID: 26754362

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL484662



ACToR 6665-67-4
BindingDB 50025457
Brenda 51408 27099
eMolecules 4368410
EPA CompTox Dashboard DTXSID00216821
IBM Patent System D7F40249B606D48CA3963ECC000BFA8F
Mcule MCULE-4013444058
MolPort MolPort-004-955-375
Nikkaji J354.018I
PubChem 165521
PubChem: Thomson Pharma 14971355
SureChEMBL SCHEMBL157490
ZINC ZINC000000057652

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