EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C35H42N2O9 |
| Net Charge | 0 |
| Average Mass | 634.726 |
| Monoisotopic Mass | 634.28903 |
| 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 |
| 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 |
| 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 reserpate | ChemIDplus |
| Rescinnamine | KEGG COMPOUND |
| Trimethoxy cinnamoyl reserpate de methyl | ChemIDplus |
| Brand Name | Source |
|---|---|
| Tsuruselpi S | KEGG DRUG |