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CHEBI:10093 - yohimbine
| Formula | C21H26N2O3 |
| Net Charge | 0 |
| Average Mass | 354.450 |
| Monoisotopic Mass | 354.19434 |
| SMILES | [H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])c3nc4ccccc4c3CCN1C2 |
| InChI | InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 |
| InChIKey | BLGXFZZNTVWLAY-SCYLSFHTSA-N |
| Roles Classification |
|---|
| Biological Roles: | serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. alpha-adrenergic antagonist An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. dopamine receptor D2 antagonist An antagonist that binds to and deactivates the dopamine receptor D2, the main receptor for all antipsychotic drugs. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. alpha-adrenergic antagonist An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| yohimbine (CHEBI:10093) has functional parent yohimbic acid (CHEBI:35633) |
| yohimbine (CHEBI:10093) has role dopamine receptor D2 antagonist (CHEBI:131787) |
| yohimbine (CHEBI:10093) has role serotonergic antagonist (CHEBI:48279) |
| yohimbine (CHEBI:10093) has role α-adrenergic antagonist (CHEBI:37890) |
| yohimbine (CHEBI:10093) is a methyl 17-hydroxy-20ξ-yohimban-16-carboxylate (CHEBI:48565) |
| IUPAC Name |
|---|
| methyl 17α-hydroxyyohimban-16α-carboxylate |
| Synonyms | Source |
|---|---|
| (16α,17α)-17-hydroxyyohimban-16-carboxylic acid methyl ester | NIST Chemistry WebBook |
| 17α-hydroxyyohimban-16α-carboxylic acid methyl ester | NIST Chemistry WebBook |
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