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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL520204
CHEMBL520204
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H20O6

Additional synonyms for CHEMBL520204 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)c(O)c1O
Standard InChI InChI=1S/C18H20O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14 ...
Download InChI
Standard InChI Key YUSYSJSHVJULID-AATRIKPKSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL520204

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
332.4 332.126 3.27 6 77.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.89 - 2.77 2.75 2 24 0.62

Structural Alerts

There are 6 structural alerts for CHEMBL520204. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YUSYSJSHVJULID-AATRIKPKSA-N
Wikipedia Combretastatin_A-1

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL520204



ACToR 109971-63-3
Nikkaji J1.374.975B J1.082.325K
PubChem 6078282
SureChEMBL SCHEMBL440053
ZINC ZINC01607446

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