Mesembrine; (-)-form, 2-Oxo, 6α-alcohol

AlkaPlorer ID: AK305634

Synonym: 6-Epi-2-oxomesembranol, 2-Oxo-6-epimesembranol

IUPAC Name: 3a-(3,4-dimethoxyphenyl)-6-hydroxy-1-methyl-3,4,5,6,7,7a-hexahydroindol-2-one

Structure

SMILES: COC1=CC=C(C23CCC(O)CC2N(C)C(=O)C3)C=C1OC

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InChI: InChI=1S/C17H23NO4/c1-18-15-9-12(19)6-7-17(15,10-16(18)20)11-4-5-13(21-2)14(8-11)22-3/h4-5,8,12,15,19H,6-7,9-10H2,1-3H3

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InChIKey: IMBDOJCKOIEMIU-UHFFFAOYSA-N

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Reference

PubChem CID: 14781752

COCONUT: CNP0449958.1

Source

Properties Information

Molecule Weight: 305.374

TPSA: 59.0

MolLogP: 1.7171

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information