loading...| Preferred Name |
ajmaline |
|
| Synonyms |
(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 (+)-Ajmaline ajmalan-17alpha,21alpha-diol Ajmaline |
|
| Definitions |
A monoterpenoid indole alkaloid that consists of ajmalan substituted at positions 17 and 21 by hydroxy groups. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28462 |
|
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB01426 KNApSAcK:C00001679 KNApSAcK:C00024294 KEGG:D00199 KEGG:C06542 CAS:4360-12-7 |
|
| definition |
A monoterpenoid indole alkaloid that consists of ajmalan substituted at positions 17 and 21 by hydroxy groups. |
|
| formula |
C20H26N2O2 |
|
| has_alternative_id |
CHEBI:2525 CHEBI:40717 CHEBI:22275 |
|
| has_exact_synonym |
ajmalan-17alpha,21alpha-diol Ajmaline |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(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 (+)-Ajmaline |
|
| id |
CHEBI:28462 |
|
| in_subset | ||
| 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 |
|
| label |
ajmaline |
|
| mass |
326.43272 |
|
| monoisotopicmass |
326.19943 |
|
| notation |
CHEBI:28462 |
|
| preferred label |
ajmaline |
|
| prefLabel |
ajmaline |
|
| 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] |
|
| subClassOf |