Dioscorine
AlkaPlorer ID: AK037436
Synonym: '', 'Dioscorine'
IUPAC Name: (1R,4R,5S)-2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one
Structure
SMILES: CC1=CC(=O)O[C@@]2(C1)C[C@H]1CC[C@@H]2CN1C
InChI: InChI=1S/C13H19NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h5,10-11H,3-4,6-8H2,1-2H3/t10-,11-,13+/m1/s1
InChIKey: YBQKKTNDAXVYGX-WZRBSPASSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dioscorea panthaica | Dioscorea | Dioscoreaceae | Dioscoreales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 221.3
TPSA？: 29.54
MolLogP？: 1.7325000000000002
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|