ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL602754
CHEMBL602754
Compound Name OENIN HYDROCHLORIDE
ChEMBL Synonyms Oenin
Max Phase 0
Trade Names
Molecular Formula C23H25ClO12

Additional synonyms for CHEMBL602754 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].COc1cc(cc(OC)c1O)c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]4O[C@H] ...
Download SMILES
Standard InChI InChI=1S/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16 ...
Download InChI
Standard InChI Key YDIKCZBMBPOGFT-DIONPBRTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL602754

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
493.4 493.1346 1.32 6 189.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 7 2 12 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - 3 35 0.25

Structural Alerts

There are 5 structural alerts for CHEMBL602754. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YDIKCZBMBPOGFT-DIONPBRTSA-N
Wikipedia Oenin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL602754



eMolecules 26754917
FDA SRS B34F52D7NB
MolPort MolPort-003-938-764
PubChem 11249520
PubChem: Thomson Pharma 16334213

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