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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL593229
CHEMBL593229
Compound Name AUREUSIDIN
ChEMBL Synonyms Aureusidin
Max Phase 0
Trade Names
Molecular Formula C15H10O6

Additional synonyms for CHEMBL593229 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(O)c2C(=O)\C(=C\c3ccc(O)c(O)c3)\Oc2c1
Standard InChI InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7 ...
Download InChI
Standard InChI Key WBEFUVAYFSOUEA-PQMHYQBVSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL593229. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL593229

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
286.2 286.0477 2.17 1 107.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.05 - 2.82 2.1 2 21 0.47

Compound Cross References

ChemSpider ChemSpider:WBEFUVAYFSOUEA-PQMHYQBVSA-N
Wikipedia Aureusidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL593229



ACToR 38216-54-5
BindingDB 50439491
ChEBI 18149
eMolecules 5754422
KEGG Ligand C08576
Nikkaji J37.389C J1.889.950G
PubChem 5281220
PubChem: Thomson Pharma 16631360
SureChEMBL SCHEMBL4408442
ZINC ZINC00897612

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