Dihydrocorynantheol; 3-Epimer, 18,19-didehydro, N4-Me, stereoisomer 

AlkaPlorer ID: AK295660

Synonym: Melinonine B

IUPAC Name: 2-(3-ethenyl-5-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-2-yl)ethanol

Structure

SMILES: C=CC1C[N+]2(C)CCC3=C(NC4=CC=CC=C34)C2CC1CCO

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InChI: InChI=1S/C20H27N2O/c1-3-14-13-22(2)10-8-17-16-6-4-5-7-18(16)21-20(17)19(22)12-15(14)9-11-23/h3-7,14-15,19,21,23H,1,8-13H2,2H3/q+1

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InChIKey: RBOQMFUKSFUNPQ-UHFFFAOYSA-N

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Reference

CAS: 6801-38-3

Source

Properties Information

Molecule Weight: 311.44900000000007

TPSA: 36.02

MolLogP: 3.416200000000002

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information