Gelsevirine
AlkaPlorer ID: AK003963
Synonym: ''
IUPAC Name: (1R,2S,5R,6S,7S,8R,11S)-2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one
Structure
SMILES: C=C[C@]12CN(C)[C@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)N(OC)C4=CC=CC=C41)[C@@H]32
InChI: InChI=1S/C21H24N2O3/c1-4-20-11-22(2)17-12-10-26-16(9-14(12)20)21(18(17)20)13-7-5-6-8-15(13)23(25-3)19(21)24/h4-8,12,14,16-18H,1,9-11H2,2-3H3/t12-,14+,16+,17-,18-,20-,21-/m0/s1
InChIKey: SSSCMFCWHWCCEH-VCJXFBNFSA-N
Reference
THE MINOR ALKALOIDS OF GELSEMIUM SEMPERVIRENS<sup>1</sup>
PubChem CID: 160926501
LOTUS: LTS0033276
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gelsemium sempervirens | Gelsemium | Gelsemiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.434
TPSA？: 42.010000000000005
MolLogP？: 1.9835
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|