Delavaconine
AlkaPlorer ID: AK175352
Synonym: ''
IUPAC Name: (1R,2R,3R,4S,5R,6R,8S,9S,10R,13R,16S,17R)-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,8-triol
Structure
SMILES: CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@@H]2O
InChI: InChI=1S/C22H35NO5/c1-4-23-10-11-5-6-15(27-2)22-12(11)7-13(18(22)23)20(25)9-16(28-3)21(26)8-14(22)17(20)19(21)24/h11-19,24-26H,4-10H2,1-3H3/t11-,12+,13-,14+,15-,16+,17+,18+,19-,20-,21-,22-/m0/s1
InChIKey: HDJXHFQXBLLNBR-YYVSQSCKSA-N
Reference
Bisnorditerpene, Norditerpene, and Lipo-alkaloids from<i>Aconitum toxicum</i>
PubChem CID: 163104245
LOTUS: LTS0254658
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？: 0.6295000000000006
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|