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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

Sources

  • Scientific Literature

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

Structural Alerts

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

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
Brenda 22088
ChEBI 18149
eMolecules 5754422
KEGG Ligand C08576
Metabolights MTBLC18149
Nikkaji J37.389C J1.889.950G
PubChem 5281220
PubChem: Thomson Pharma 16631360
Rhea 18149
SureChEMBL SCHEMBL4408442
ZINC ZINC000000897612

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