loading...| Preferred Name |
reserpine |
|
| Synonyms |
methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate Reserpine (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester 3,4,5-trimethoxybenzoyl methyl reserpate (-)-reserpine Apoplon Reserpin Serpalan |
|
| Definitions |
An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28487 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:24603678 Reaxys:102014 KEGG:D00197 PMID:20825390 LINCS:LSM-4162 CAS:50-55-5 HMDB:HMDB0014351 DrugBank:DB00206 PMID:20701244 KEGG:C06539 Wikipedia:Reserpine Drug_Central:2370 KNApSAcK:C00001763 Beilstein:102014 Beilstein:5326088 |
|
| definition |
An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. |
|
| formula |
C33H40N2O9 |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_65190 http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_76779 http://purl.obolibrary.org/obo/CHEBI_35674 |
|
| has_alternative_id |
CHEBI:26531 CHEBI:8808 |
|
| has_exact_synonym |
methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate Reserpine |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester 3,4,5-trimethoxybenzoyl methyl reserpate (-)-reserpine Apoplon Reserpin Serpalan |
|
| has_RxCUI |
9260 |
|
| id |
CHEBI:28487 |
|
| in_subset | ||
| inchi |
InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 |
|
| inchikey |
QEVHRUUCFGRFIF-MDEJGZGSSA-N |
|
| label |
Reserpine reserpine |
|
| mass |
608.67870 |
|
| monoisotopicmass |
608.27338 |
|
| notation |
CHEBI:28487 |
|
| prefLabel |
reserpine |
|
| smiles |
[H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_27358 |