DESMETHOXYYANGONIN Next Previous

ChEMBL ID CHEMBL254218
PubChem CID 5273621
DrugBank Accession Number
ClinicalTrials DESMETHOXYYANGONIN
Molecular Formula C14H12O3
Inchikey DKKJNZYHGRUXBS-BQYQJAHWSA-N
Cas Number 15345-89-8

Smiles
COc1cc(/C=C/c2ccccc2)oc(=O)c1

Synonyms
5,6-Dehydrokawain, 5,6-Dehydrokawin, Desmethoxyyangonin

Libraries
ScreenWell

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 228.25
Rotatable Bonds 3
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 2.82
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