Preferred Name |
rescinnamine |
|
Synonyms |
Rescinnamine methyl 11,17alpha-dimethoxy-18beta-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3beta,20alpha-yohimban-16beta-carboxylate 3,4,5-Trimethoxycinnamoyl methyl reserpate Tsuruselpi S Trimethoxy cinnamoyl reserpate de methyl |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_28572 |
|
charge |
0 |
|
database_cross_reference |
CAS:24815-24-5 KNApSAcK:C00001762 KEGG:D00198 Beilstein:75328 KEGG:C06540 Wikipedia:Rescinnamine DrugBank:DB01180 Drug_Central:2369 |
|
formula |
C35H42N2O9 |
|
has parent hydride | ||
has role | ||
has_alternative_id |
CHEBI:26530 CHEBI:8807 |
|
has_exact_synonym |
Rescinnamine methyl 11,17alpha-dimethoxy-18beta-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3beta,20alpha-yohimban-16beta-carboxylate |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
3,4,5-Trimethoxycinnamoyl methyl reserpate Tsuruselpi S Trimethoxy cinnamoyl reserpate de methyl |
|
has_RxCUI |
9259 |
|
id |
CHEBI:28572 |
|
in_subset | ||
inchi |
InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1 |
|
inchikey |
SZLZWPPUNLXJEA-QEGASFHISA-N |
|
label |
rescinnamine |
|
mass |
634.71606 |
|
monoisotopicmass |
634.28903 |
|
notation |
CHEBI:28572 |
|
prefixIRI |
CHEBI:28572 |
|
prefLabel |
rescinnamine |
|
smiles |
[H][C@]12C[C@@H](OC(=O)\C=C\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_38164 |