Mesembrine; (-)-form, 6β-Alcohol

AlkaPlorer ID: AK305630

Synonym: Mesembranol, Mesembrinol

IUPAC Name: 3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol

Structure

SMILES: COC1=CC=C(C23CCC(O)CC2N(C)CC3)C=C1OC

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InChI: InChI=1S/C17H25NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,13,16,19H,6-9,11H2,1-3H3

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InChIKey: KPMLOZVRLWHOBN-UHFFFAOYSA-N

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Reference

PubChem CID: 625909

CAS: 23544-42-5

COCONUT: CNP0213952.3

Source

Properties Information

Molecule Weight: 291.391

TPSA: 41.93000000000001

MolLogP: 2.1905

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