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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

Structural Alerts

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

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 1.86 2 116.45 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 2 23 0.63

Compound Cross References

ChemSpider ChemSpider:RJBAXROZAXAEEM-UHFFFAOYSA-N
Wikipedia Azaleatin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL470848



ACToR 529-51-1
BindinDB 50326483
ChEBI 2945
IBM Patent System A3FD26772F8EA6FE8B62DB4D2C8E7D63
IBM Patents US20070232495 US20100028469 WO2008100977A2 EP0742012A2 WO2007110801A2 EP2003968A2
KEGG Ligand C10022
Nikkaji J833H
PubChem 5281604
PubChem: Thomson Pharma 15346816
SureChEMBL SCHEMBL890990

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