ajaconine
AlkaPlorer ID: AK010098
Synonym: '', 'Deacetylspiramine F', '5-epi-Ajaconine', 'Ajaconine'
IUPAC Name: (1S,5R,8R,10R,11S,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=C1C(O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)CN(CCO)[C@@H]1O[C@@H]3C[C@H]42
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-AUULIKOQSA-N
Reference
The Diterpenoid Alkaloids of Delphinium delavayi Franch var. pogonanthum (H. -M.) Wang
PubChem CID: 133562510
LOTUS: LTS0018887
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Consolida ajacis | Consolida | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.5100000000001
TPSA？: 52.93000000000001
MolLogP？: 2.549100000000001
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|