Sceletium namaquense Alkaloid
AlkaPlorer ID: AK283794
Synonym: None
IUPAC Name: 3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,6,8,9,9b-octahydropyrrolo[2,3-f]quinolin-7-one
Structure
SMILES: COC1=CC=C(C23CCC4=C(CCC(O)=N4)C2N(C)CC3)C=C1OC
InChI: InChI=1S/C20H26N2O3/c1-22-11-10-20(13-4-6-16(24-2)17(12-13)25-3)9-8-15-14(19(20)22)5-7-18(23)21-15/h4,6,12,19H,5,7-11H2,1-3H3,(H,21,23)
InChIKey: GDZQQLNIWDPLKC-UHFFFAOYSA-N
Reference
Sceletium alkaloids. Structures of five new bases from Sceletium namaquense
PubChem CID: 163098372
LOTUS: LTS0024820
COCONUT: CNP0419439.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mesembryanthemum tortuosum | Mesembryanthemum | Aizoaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 342.43900000000014
TPSA？: 54.290000000000006
MolLogP？: 3.443900000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|