Napelline; 15-Ac, N-oxide
AlkaPlorer ID: AK307369
Synonym: Flavadine
IUPAC Name: (11-ethyl-4,16-dihydroxy-13-methyl-6-methylidene-11-oxido-11-azoniahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-7-yl) acetate
Structure
SMILES: C=C1C2CC3(C1OC(C)=O)C1CC4C5(C)CCC(O)C4(C3CC2O)C1[N+]([O-])(CC)C5
InChI: InChI=1S/C24H35NO5/c1-5-25(29)11-22(4)7-6-19(28)24-17(22)8-15(20(24)25)23-10-14(16(27)9-18(23)24)12(2)21(23)30-13(3)26/h14-21,27-28H,2,5-11H2,1,3-4H3
InChIKey: CVKNHZTVQWAOMK-UHFFFAOYSA-N
Reference
Structures of Flavamine and Flavadine from<i>Aconitum flavum</i>
PubChem CID: 14558194
CAS: 119188-45-3
LOTUS: LTS0074919
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum flavum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 417.54600000000016
TPSA？: 89.82000000000001
MolLogP？: 2.3752000000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|