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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL283196
CHEMBL283196
Compound Name ALPHA-NAPHTHOFLAVONE
ChEMBL Synonyms Alpha-Naphtholflavone | 7,8-Benzoflavone | Alpha-Naphthoflavone | Alpha-Naphtoflavone
Max Phase 0
Trade Names
Molecular Formula C19H12O2

Additional synonyms for CHEMBL283196 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C=C(Oc2c1ccc3ccccc23)c4ccccc4
Standard InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5- ...
Download InChI
Standard InChI Key VFMMPHCGEFXGIP-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • FDA Approval Packages
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL283196

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
272.3 272.0837 4.61 1 30.21 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5 5 4 21 0.47

Structural Alerts

There are 2 structural alerts for CHEMBL283196. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VFMMPHCGEFXGIP-UHFFFAOYSA-N
PubChem SID: 11113127 SID: 124882822 SID: 26754187
Wikipedia Alpha-Naphthoflavone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL283196



BindingDB 50014323
Brenda 19650 6483 7136
ChEBI 76995
ChemicalBook CB0184955
DrugBank DB07453
eMolecules 499134
EPA CompTox Dashboard DTXSID2040650
FDA SRS FML65D8PY5
IBM Patent System AE273D8A14E3A5D313E17147E8C362D1
Mcule MCULE-2454889877
MolPort MolPort-001-759-204
Nikkaji J46.330B
PDBe BHF
PubChem 11790
PubChem: Thomson Pharma 14775024
SureChEMBL SCHEMBL121594
ZINC ZINC000000038933

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