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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL151766
CHEMBL151766
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H22O6

Additional synonyms for CHEMBL151766 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CC(O)c2cc(OC)c(OC)c(OC)c2)cc1O
Standard InChI InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16 ...
Download InChI
Standard InChI Key LGZKGOGODCLQHG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL151766

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
334.4 334.1416 2.85 7 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
9.92 - 1.09 1.09 2 24 0.81

Structural Alerts

There are no structural alerts for CHEMBL151766

Compound Cross References

ChemSpider ChemSpider:LGZKGOGODCLQHG-UHFFFAOYSA-N
Wikipedia Combretastatin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL151766



IBM Patent System 518ED6E03742DA87AFDC55BB23E6AD7D
Nikkaji J444.208C
PubChem 335929
PubChem: Thomson Pharma 15446260
SureChEMBL SCHEMBL19956

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