CHEBI:28462 - ajmaline

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ChEBI Name ajmaline
ChEBI ID CHEBI:28462
Definition A monoterpenoid indole alkaloid that consists of ajmalan substituted at positions 17 and 21 by hydroxy groups.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40717, CHEBI:2525, CHEBI:22275
Supplier Information
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Formula C20H26N2O2
Net Charge 0
Average Mass 326.43272
Monoisotopic Mass 326.199
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
SMILES [H][C@@]12C[C@H]3[C@H](CC)[C@@H](O)N1[C@H]1C[C@@]4([C@H](O)C31)c1ccccc1N(C)[C@@]24[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(+)-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
Ajmaline KEGG COMPOUND
Database Links Databases
C00001679 KNApSAcK
C00024294 KNApSAcK
C06542 KEGG COMPOUND
D00199 KEGG DRUG
DB01426 DrugBank
View more database links
Registry Numbers Types Sources
4360-12-7 CAS Registry Number KEGG COMPOUND
4360-12-7 CAS Registry Number ChemIDplus
Last Modified
22 February 2017