Dioscorine; 4'S,5'-Dihydro
AlkaPlorer ID: AK296725
Synonym: Dihydrodioscorine
IUPAC Name: 2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,6'-oxane]-2'-one
Structure
SMILES: CC1CC(=O)OC2(C1)CC1CCC2CN1C
InChI: InChI=1S/C13H21NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h9-11H,3-8H2,1-2H3
InChIKey: KUBGFNFNLFGTGA-UHFFFAOYSA-N
Reference
A Convulsant Alkaloid of Dioscorea dumetorum
PubChem CID: 15931602
LOTUS: LTS0040429
COCONUT: CNP0211805.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dioscorea | Dioscoreaceae | Dioscoreales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dioscorea bulbifera | Dioscorea | Dioscoreaceae | Dioscoreales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dioscorea dumetorum | Dioscorea | Dioscoreaceae | Dioscoreales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 223.316
TPSA？: 29.54
MolLogP？: 1.8124
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|