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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL470848
CHEMBL470848
Compound Name
ChEMBL Synonyms 5-O-Methylquercetin
Max Phase 0
Trade Names
Molecular Formula C16H12O7

Additional synonyms for CHEMBL470848 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(O)cc2OC(=C(O)C(=O)c12)c3ccc(O)c(O)c3
Standard InChI InChI=1S/C16H12O7/c1-22-11-5-8(17)6-12-13(11)14(20)15(21)16( ...
Download InChI
Standard InChI Key RJBAXROZAXAEEM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL470848

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
316.3 316.0583 2.29 2 120.36 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.46 - 2.29 1.35 3 23 0.54

Structural Alerts

There are 6 structural alerts for CHEMBL470848. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RJBAXROZAXAEEM-UHFFFAOYSA-N
Wikipedia Azaleatin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL470848



ACToR 529-51-1
BindingDB 50326483
Brenda 111736 124061
ChEBI 2945
EPA CompTox Dashboard DTXSID80200945
FDA SRS SO52512D8G
IBM Patent System A3FD26772F8EA6FE8B62DB4D2C8E7D63
KEGG Ligand C10022
LipidMaps LMPK12112546
Metabolights MTBLC2945
MolPort MolPort-046-153-791
Nikkaji J833H
PubChem 5281604
PubChem: Thomson Pharma 15346816
SureChEMBL SCHEMBL890990
ZINC ZINC000005998785

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