EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:5720 - himbacine
| Formula | C22H35NO2 |
| Net Charge | 0 |
| Average Mass | 345.527 |
| Monoisotopic Mass | 345.26678 |
| SMILES | [H][C@]12CCCC[C@]1([H])[C@@]([H])(/C=C/[C@@]1([H])CCC[C@H](C)N1C)[C@@]1([H])[C@H](C)OC(=O)[C@@]1([H])C2 |
| InChI | InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1 |
| InChIKey | FMPNFDSPHNUFOS-LPJDIUFZSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| himbacine (CHEBI:5720) has role muscarinic antagonist (CHEBI:48876) |
| himbacine (CHEBI:5720) is a organic heterotricyclic compound (CHEBI:26979) |
| himbacine (CHEBI:5720) is a piperidine alkaloid (CHEBI:26147) |
| himbacine (CHEBI:5720) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (3S,3aR,4R,4aS,8aR,9aS)-4-{(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl}-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one |
| Synonym | Source |
|---|---|
| (+)-himbacine | ChEBI |
| Citations |
|---|