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ChEMBL Statistics
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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] ...
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Standard InChI InChI=1S/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16 ...
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Standard InChI Key YDIKCZBMBPOGFT-DIONPBRTSA-N

Structural Alerts

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

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

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
PubChem 11249520
PubChem: Thomson Pharma 16334213

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