ajaconine
AlkaPlorer ID: AK010106
Synonym: '', 'Deacetylspiramine F', '5-epi-Ajaconine', 'Ajaconine'
IUPAC Name: (1S,5S,8R,10R,11S,12R,14S,16R,17R)-7-(2-hydroxyethyl)-5-methyl-13-methylidene-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-12-ol
Structure
SMILES: C=C1[C@H]2CC[C@]3([C@@H](C2)[C@@]24CCC[C@]5(C)CN(CCO)[C@@H]2O[C@@H]3C[C@H]54)[C@@H]1O
InChI: InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3/t14-,15+,16-,17+,18+,19+,20+,21-,22+/m0/s1
InChIKey: RLXRCZIALRMBJR-HUWJZBPMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cryptocarya liebertiana | Cryptocarya | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Tephrosia platycarpa | Tephrosia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.51
TPSA？: 52.93000000000001
MolLogP？: 2.5491000000000006
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|