acotoxicine
AlkaPlorer ID: AK171935
Synonym: '', 'Acotoxicine'
IUPAC Name: (1S,2R,3R,4R,5S,6R,8S,9R,10S,13S,14S,16R,17S)-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]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@H]6OC)[C@H](C[C@@H]23)[C@H]14
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-YLAMYHHOSA-N
Reference
Bisnorditerpene, Norditerpene, and Lipo-alkaloids from<i>Aconitum toxicum</i>
PubChem CID: 163070110
LOTUS: LTS0116554
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum toxicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 393.52400000000017
TPSA？: 82.39000000000001
MolLogP？: 0.4854
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|