Dolaconine
AlkaPlorer ID: AK026237
Synonym: 'Episcopalitine'
IUPAC Name: [(1R,2S,3S,4S,5S,6R,8R,9S,10R,13R,16S,17R)-11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
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@@H]2C[C@H]4[C@H]1[C@H]2OC(C)=O
InChI: InChI=1S/C24H37NO5/c1-5-25-11-13-6-7-19(29-4)24-15(13)9-17(22(24)25)23(27)10-18(28-3)14-8-16(24)20(23)21(14)30-12(2)26/h13-22,27H,5-11H2,1-4H3/t13-,14-,15+,16-,17-,18+,19-,20-,21-,22+,23+,24-/m0/s1
InChIKey: MLYKFKUTKJPICF-KACIVHQVSA-N
Reference
Bisnorditerpene, Norditerpene, and Lipo-alkaloids from<i>Aconitum toxicum</i>
PubChem CID: 162950447
LOTUS: LTS0126277
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum toxicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 419.5620000000002
TPSA？: 68.23000000000002
MolLogP？: 2.0853999999999995
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|