Mesembrinol
AlkaPlorer ID: AK038426
Synonym: '', 'Mesembrinol'
IUPAC Name: (3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-1,2,3,4,5,6,7,7a-octahydroindol-1-ium-6-ol
Structure
SMILES: COC1=CC=C([C@@]23CC[C@@H](O)C[C@@H]2[NH+](C)CC3)C=C1OC
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/p+1/t13-,16+,17+/m1/s1
InChIKey: KPMLOZVRLWHOBN-COXVUDFISA-O
Reference
Isolation of Sceletium alkaloids by high-speed countercurrent chromatography
LOTUS: LTS0272162
NPASS: NPC36650
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mesembryanthemum expansum | Mesembryanthemum | Aizoaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Mesembryanthemum tortuosum | Mesembryanthemum | Aizoaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 292.39900000000006
TPSA？: 43.13
MolLogP？: 0.7734000000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|