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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL63354
CHEMBL63354
Compound Name AMENTOFLAVONE
ChEMBL Synonyms Amentoflavone
Max Phase 0
Trade Names
Molecular Formula C30H18O10

Additional synonyms for CHEMBL63354 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)c(c3O2)c4cc(ccc4O)C5=CC(=O)c6 ...
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Standard InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36 ...
Download InChI
Standard InChI Key YUSWMAULDXZHPY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL63354

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
538.5 538.09 4.51 3 173.98 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 6 2 10 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.01 - 3.49 .21 4 40 0.22

Structural Alerts

There are 4 structural alerts for CHEMBL63354. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YUSWMAULDXZHPY-UHFFFAOYSA-N
PubChem SID: 22405512
Wikipedia Amentoflavone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL63354



ACToR 1617-53-4
Brenda 76008 132493 4391
ChEBI 2631
eMolecules 505197
EPA CompTox Dashboard DTXSID20167225
FDA SRS 9I1VC79L77
Human Metabolome Database HMDB0030832
IBM Patent System D4277337E281E1CF95A7FACA0DD113C5
KEGG Ligand C10018
LipidMaps LMPK12040009
Metabolights MTBLC2631
MolPort MolPort-001-741-078
Nikkaji J34.739F
PubChem 5281600
PubChem: Thomson Pharma 15061392
SureChEMBL SCHEMBL312563
ZINC ZINC000003984030

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