Preferred Name |
deserpidine |
|
Synonyms |
Deserpidine methyl (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate 11-demethoxyreserpine recanescine (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester 11-desmethoxyreserpine Harmonyl Raunormine canescine |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_27478 |
|
charge |
0 |
|
database_cross_reference |
Beilstein:101820 Wikipedia:Deserpidine DrugBank:DB01089 KEGG:C06541 Drug_Central:810 CAS:131-01-1 KEGG:D08194 KNApSAcK:C00001712 |
|
formula |
C32H38N2O8 |
|
has parent hydride | ||
has_alternative_id |
CHEBI:23645 CHEBI:4444 |
|
has_exact_synonym |
Deserpidine methyl (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
11-demethoxyreserpine recanescine (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester 11-desmethoxyreserpine Harmonyl Raunormine canescine |
|
has_RxCUI |
62174 |
|
id |
CHEBI:27478 |
|
in_subset | ||
inchi |
InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1 |
|
inchikey |
CVBMAZKKCSYWQR-WCGOZPBSSA-N |
|
label |
deserpidine |
|
mass |
578.65270 |
|
monoisotopicmass |
578.26282 |
|
notation |
CHEBI:27478 |
|
prefixIRI |
CHEBI:27478 |
|
prefLabel |
deserpidine |
|
smiles |
CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38164 http://purl.obolibrary.org/obo/CHEBI_36054 http://purl.obolibrary.org/obo/CHEBI_27358 |