Dihydroatisine
AlkaPlorer ID: AK015073
Synonym: 'F-Dihydroatisine'
IUPAC Name: (1S,2S,4R,6R,7R,10R,11S)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-6-ol
Structure
SMILES: C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O
InChI: InChI=1S/C22H35NO2/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24/h16-19,24-25H,1,3-14H2,2H3/t16-,17-,18-,19-,20-,21-,22+/m1/s1
InChIKey: KNYGXNFGZONVKK-YPMIVSHASA-N
Reference
The alkaloids of aconitum heterophyllum wall.: Isolation and characterization
PubChem CID: 162994484
LOTUS: LTS0274906
SuperNatural Ⅲ: SN0190709-07
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum heterophyllum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 345.52700000000004
TPSA？: 43.7
MolLogP？: 3.214300000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|