Subdesculine
AlkaPlorer ID: AK121076
Synonym: '12-epi-Acetyldehydronapelline', '12-Epiacetyldehydronapelline', '12-Epidehydronapelline 12-acetate', 'Anhydroepoxynapelline 12-acetate'
IUPAC Name: [(1R,2R,4S,5R,8S,10R,12R,13S,14R,16R,17R,19R)-11-ethyl-19-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosan-16-yl] acetate
Structure
SMILES: C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](C[C@H]2OC(C)=O)[C@]12[C@@H]4CC[C@]5(C)[C@H]1C[C@H]3[C@H]2N(CC)[C@@H]5O4
InChI: InChI=1S/C24H33NO4/c1-5-25-19-14-8-16-22(4)7-6-18(29-21(22)25)24(16,19)17-9-15(28-12(3)26)13-10-23(14,17)20(27)11(13)2/h13-21,27H,2,5-10H2,1,3-4H3/t13-,14+,15-,16-,17-,18+,19-,20-,21-,22-,23+,24+/m1/s1
InChIKey: YRUSHCSMDUSKBH-UZJDVSRKSA-N
Reference
The Diterpenoid Alkaloids from Aconitum napellus
PubChem CID: 162852894
LOTUS: LTS0190387
SuperNatural Ⅲ: SN0458566-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum napellus | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 399.5310000000001
TPSA？: 59.0
MolLogP？: 2.726600000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|