(4aS,5R,10bR)-(+)-siculine Trifluoroacetic acid

AlkaPlorer ID: AK024705

Synonym: '', '(1R,10S,12R)-4-Methoxy-9-azatetracyclo7.5.2.0(1,10).0(2,7)hexadeca-2,4,6,13-tetraene-5,12-diol Trifluoroacetic acid', '8-O-Demethylvasconine', '(+)-(1R,10S,12S)-4-Methoxy-9-azatetracyclo7.5.2.0(1,10).0(2,7)hexadeca-2,4,6,13-tetraene-5,12-diol Trifluoroacetic acid', 'Macowine', '(-)-8-Demethylmaritidine', 'Normaritidine', '(+)-8-O-demethylmaritidine Trifluoroacetic acid'

IUPAC Name: (1R,10R,12S)-4-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraene-5,12-diol

Structure

SMILES: COC1=CC2=C(C=C1O)CN1CC[C@@]23C=C[C@@H](O)C[C@@H]13

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InChI: InChI=1S/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,11,15,18-19H,4-5,7,9H2,1H3/t11-,15-,16+/m1/s1

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InChIKey: TZTBAJFJEZRQCV-LYRGGWFBSA-N

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Source

Properties Information

Molecule Weight: 273.332

TPSA: 52.93000000000001

MolLogP: 1.5473

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information