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

AlkaPlorer ID: AK024704

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: None

Structure

SMILES: COC1=CC2=C(C=C1O)C[NH+]1CC[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/p+1/t11-,15+,16+/m0/s1

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InChIKey: TZTBAJFJEZRQCV-IUIKQTSFSA-O

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Crinum macowanii Crinum Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 274.34000000000003

TPSA: 54.13

MolLogP: 0.1301999999999999

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011646 COc1cc2c(cc1O)CN1CC[C@]23C=CC(=O)C[C@@H]13>>COc1cc2c(cc1O)CN1CC[C@]23C=C[C@H](O)C[C@@H]13 RXN-18137
AKRT011647 COc1cc2c(cc1O)CN1CC[C@]23C=C[C@H](O)C[C@@H]13>>O[C@H]1C=C[C@@]23CCN(Cc4cc5c(cc42)OCO5)[C@@H]3C1 RXN-18134