Sitsirikine
AlkaPlorer ID: AK420812
Synonym: None
IUPAC Name: methyl (2R)-2-[(2S,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
Structure
SMILES: C=CC1CN2CCC3=C(NC4=CC=CC=C34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC
InChI: InChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,13,16-17,19,22,24H,1,8-12H2,2H3/t13?,16-,17-,19-/m0/s1
InChIKey: JGKCGXVOATXMRM-UCKHUVRUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia caffra | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.45000000000016
TPSA？: 65.56
MolLogP？: 2.670700000000001
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|