11-Acetyl-1,19-epoxydenudatine
AlkaPlorer ID: AK074668
Synonym: '1,19-Epoxydenudatine 11-acetate'
IUPAC Name: [(1R,2R,4S,5R,8S,10R,12R,13R,14R,15S,16S,18S)-11-ethyl-18-hydroxy-5-methyl-17-methylidene-9-oxa-11-azaheptacyclo[14.2.2.01,14.02,12.04,13.05,10.08,13]icosan-15-yl] acetate
Structure
SMILES: C=C1[C@@H]2CC[C@@]3([C@@H]([C@H]2OC(C)=O)[C@]24[C@@H]5CC[C@]6(C)[C@H]2C[C@H]3[C@H]4N(CC)[C@@H]6O5)[C@H]1O
InChI: InChI=1S/C24H33NO4/c1-5-25-19-14-10-15-22(4)8-7-16(29-21(22)25)24(15,19)18-17(28-12(3)26)13-6-9-23(14,18)20(27)11(13)2/h13-21,27H,2,5-10H2,1,3-4H3/t13-,14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24+/m0/s1
InChIKey: ZJQGYZLTPGHVJZ-QNELILJHSA-N
Reference
11-Acetyl-1,19-epoxydenudatine: A New Alkaloid from<i>Aconitum barbatum</i>
PubChem CID: 162993722
LOTUS: LTS0058251
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum barbatum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 399.5310000000001
TPSA？: 59.0
MolLogP？: 2.7266000000000017
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|