acotoxicine
AlkaPlorer ID: AK171934
Synonym: '', 'Acotoxicine'
IUPAC Name: (1S,2S,3S,4R,5R,6R,8R,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]1[C@@H](C[C@@H]23)[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+/m0/s1
InChIKey: YEOLFWLRGOEFNZ-ZWZKQCKGSA-N
Reference
Bisnorditerpene, Norditerpene, and Lipo-alkaloids from<i>Aconitum toxicum</i>
PubChem CID: 163070109
LOTUS: LTS0068807
SuperNatural Ⅲ: SN0448269-03
NPASS: NPC156520
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prorocentrum lima | Prorocentrum | Prorocentraceae | Prorocentrales | Dinophyceae | None | None | 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 |
|---|