EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:28462 - ajmaline
| Formula | C20H26N2O2 |
| Net Charge | 0 |
| Average Mass | 326.440 |
| Monoisotopic Mass | 326.19943 |
| SMILES | [H][C@@]12N(C)c3ccccc3[C@]13C[C@H]1C([C@H]4C[C@]2([H])N1[C@H](O)[C@H]4CC)[C@H]3O |
| InChI | InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16?,17-,18+,19+,20+/m0/s1 |
| InChIKey | CJDRUOGAGYHKKD-HEFSZTOGSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ajmaline (CHEBI:28462) has parent hydride ajmalan (CHEBI:37673) |
| ajmaline (CHEBI:28462) is a hemiaminal (CHEBI:73080) |
| ajmaline (CHEBI:28462) is a monoterpenoid indole alkaloid (CHEBI:65323) |
| ajmaline (CHEBI:28462) is conjugate base of ajmalinium (CHEBI:58567) |
| Incoming Relation(s) |
| 17-O-acetylajmaline (CHEBI:37674) has functional parent ajmaline (CHEBI:28462) |
| norajmaline (CHEBI:7621) has functional parent ajmaline (CHEBI:28462) |
| vinorine (CHEBI:16791) has functional parent ajmaline (CHEBI:28462) |
| ajmalinium (CHEBI:58567) is conjugate acid of ajmaline (CHEBI:28462) |
| IUPAC Name |
|---|
| ajmalan-17α,21α-diol |
| Synonyms | Source |
|---|---|
| Ajmaline | KEGG COMPOUND |
| (+)-Ajmaline | ChemIDplus |
| (5aR,6S,8S,10S,11S,11aS,12aR,13R)-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol | PDBeChem |