acotoxicine
AlkaPlorer ID: AK171933
Synonym: '', 'Acotoxicine'
IUPAC Name: (1R,2R,3R,4S,5S,6S,8S,9S,10R,13R,14R,16S,17R)-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,14-triol
Structure
SMILES: CCN1C[C@@H]2[C@H](O)C[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O
InChI: InChI=1S/C22H35NO5/c1-4-23-9-11-12-6-14-20(23)22(12,17(28-3)7-15(11)24)13-5-10-16(27-2)8-21(14,26)18(13)19(10)25/h10-20,24-26H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15-,16+,17+,18-,19+,20-,21+,22+/m1/s1
InChIKey: YEOLFWLRGOEFNZ-DXIDERJKSA-N
Reference
Bisnorditerpene, Norditerpene, and Lipo-alkaloids from<i>Aconitum toxicum</i>
PubChem CID: 102590023
LOTUS: LTS0203129
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum toxicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 393.5240000000001
TPSA？: 82.39000000000001
MolLogP？: 0.485400000000001
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|