CHEBI:28572 - rescinnamine

ChEBI IDCHEBI:28572
ChEBI Namerescinnamine
Stars
Secondary ChEBI IDsCHEBI:8807, CHEBI:26530
Last Modified9 March 2018
DownloadsMolfile
FormulaC35H42N2O9
Net Charge0
Average Mass634.726
Monoisotopic Mass634.28903
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])c3nc4cc(OC)ccc4c3CCN1C2
InChIInChI=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
InChIKeySZLZWPPUNLXJEA-QEGASFHISA-N
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
rescinnamine (CHEBI:28572) has parent hydride yohimban (CHEBI:35631)
rescinnamine (CHEBI:28572) has role antihypertensive agent (CHEBI:35674)
rescinnamine (CHEBI:28572) is a indole alkaloid (CHEBI:38958)
rescinnamine (CHEBI:28572) is a methyl ester (CHEBI:25248)
rescinnamine (CHEBI:28572) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
methyl 11,17α-dimethoxy-18β-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3β,20α-yohimban-16β-carboxylate
Synonyms  Source
3,4,5-Trimethoxycinnamoyl methyl reserpateChemIDplus
RescinnamineKEGG COMPOUND
Trimethoxy cinnamoyl reserpate de methylChemIDplus
Brand Name  Source
Tsuruselpi SKEGG DRUG
Manual XrefsDatabases
2369DrugCentral
C00001762KNApSAcK
C06540KEGG COMPOUND
D00198KEGG DRUG
DB01180DrugBank
RescinnamineWikipedia
Registry NumbersSources
Beilstein:75328Beilstein
CAS:24815-24-5KEGG COMPOUND