Flavadine
AlkaPlorer ID: AK360038
Synonym: None
IUPAC Name: [(1S,2R,4S,5R,7R,8S,9S,10S,13S,16S,17R)-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=C1[C@H]2C[C@@]3([C@@H]1OC(C)=O)[C@@H]1C[C@@H]4[C@]5(C)CC[C@H](O)[C@@]4([C@@H]3C[C@@H]2O)[C@H]1[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/t14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25?/m1/s1
InChIKey: CVKNHZTVQWAOMK-WEVPJGPBSA-N
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 |
|---|