Gelsemicine
AlkaPlorer ID: AK003987
Synonym: 'Gelsemicine', ''
IUPAC Name: (1S,2S,6R,7R)-6-ethyl-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
Structure
SMILES: CC[C@H]1NC2C[C@@]3(C(=O)N(OC)C4=CC(OC)=CC=C43)[C@@H]3C[C@@H]1C2CO3
InChI: InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13?,15-,16?,18+,20+/m1/s1
InChIKey: RIHQHYIWKHVLRH-ZDWRFUSWSA-N
Reference
THREE MINOR ALKALOIDS OF <i>GELSEMIUM</i><i>SEMPERVIRENS</i> AIT.
PubChem CID: 137628514
LOTUS: LTS0144330
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gelsemium sempervirens | Gelsemium | Gelsemiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 358.4380000000001
TPSA？: 60.030000000000015
MolLogP？: 2.0164
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|