ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL210395
CHEMBL210395
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H18O6

Additional synonyms for CHEMBL210395 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(\C=C\C(=C\C(=O)\C=C\c2oc(CO)cc2)\O)ccc1O
Standard InChI InChI=1S/C19H18O6/c1-24-19-10-13(3-9-18(19)23)2-4-14(21)11-1 ...
Download InChI
Standard InChI Key JGMBQQMPXDIIFL-GWQKHAEWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL210395

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
342.4 342.1103 3.22 7 100.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.35 - .97 .92 2 25 0.41

Structural Alerts

There are 10 structural alerts for CHEMBL210395. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JGMBQQMPXDIIFL-GWQKHAEWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL210395



PubChem 11493886
PubChem: Thomson Pharma 16595813
ZINC ZINC000101050573

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