Acsinatine
AlkaPlorer ID: AK040997
Synonym: ''
IUPAC Name: [(1R,3R,5R,6R,8R,9S,11S,14S,16S,17S,18S)-6,18-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate
Structure
SMILES: C=C1C[C@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(C)=O)C[C@]57[C@@H]([C@H]2C[C@H]1C[C@]37O)N4[C@@H]6O
InChI: InChI=1S/C22H29NO4/c1-10-5-20-9-15-16-19(3)7-13(27-11(2)24)8-21(16)17(23(15)18(19)25)14(20)4-12(10)6-22(20,21)26/h12-18,25-26H,1,4-9H2,2-3H3/t12-,13-,14+,15-,16+,17+,18+,19+,20-,21+,22-/m0/s1
InChIKey: SLIMTSISPNWMCS-XOBKPFOFSA-N
Reference
Atidine and atisine azomethine from Aconitum zeravschanicum
PubChem CID: 162984504
LOTUS: LTS0236125
SuperNatural Ⅲ: SN0348692-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum leucostomum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.4770000000001
TPSA？: 70.0
MolLogP？: 1.8265
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|