Coumaperine; 3'-Methoxy, 4',5'-dihydro

AlkaPlorer ID: AK113165

Synonym: Dihydroferuperine

IUPAC Name: 5-(4-hydroxy-5-methoxycyclohexa-1,5-dien-1-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one

Structure

SMILES: COC1=CC(C=CC=CC(=O)N2CCCCC2)=CCC1O

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InChI: InChI=1S/C17H23NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-9,13,15,19H,2,5-6,10-12H2,1H3

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InChIKey: PUYWOMGLUNDEFM-UHFFFAOYSA-N

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Reference

PubChem CID: 162789456

COCONUT: CNP0002460

Properties Information

Molecule Weight: 289.37499999999994

TPSA: 49.77

MolLogP: 2.3326000000000007

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information