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CHEBI:2612 - alstonine
| Formula | C21H20N2O3 |
| Net Charge | 0 |
| Average Mass | 348.402 |
| Monoisotopic Mass | 348.14739 |
| SMILES | [H][C@@]12C[n+]3ccc4c([n-]c5ccccc54)c3C[C@]1([H])C(C(=O)OC)=CO[C@H]2C |
| InChI | InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16-/m0/s1 |
| InChIKey | WYTGDNHDOZPMIW-RCBQFDQVSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rauvolfia obscura (IPNI:81602-1) | |||
| root (BTO:0001188) | PubMed (948531) | ||
| leaf (BTO:0000713) | PubMed (1121522) | ||
| Rauvolfia hirsuta (IPNI:INI81548-1) | root (BTO:0001188) | Article (Vergara, B.U. (1955) Extraction of reserpine and other alkaloids from Colombian Rauwolfia hirsute. J. Am. Chem. Soc., 77(7), 1864-1864.) | |
| Rauvolfia vomitoria (IPNI:81673-1) | - | Article (Schlittler, E., Schwarz, H. and Bader, F. (1952) Isolierung von Alstonin aus afrikanischen Rauwolfia‐Arten. Helv. Chim. Acta, 35(1), 271-276.) | |
| Rauvolfia volkensii (IPNI:81672-1) | root (BTO:0001188) | PubMed (7253681) |
| 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: | antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| alstonine (CHEBI:2612) has role antipsychotic agent (CHEBI:35476) |
| alstonine (CHEBI:2612) is a indole alkaloid (CHEBI:38958) |
| alstonine (CHEBI:2612) is a methyl ester (CHEBI:25248) |
| alstonine (CHEBI:2612) is a organic heteropentacyclic compound (CHEBI:38164) |
| alstonine (CHEBI:2612) is a zwitterion (CHEBI:27369) |
| alstonine (CHEBI:2612) is conjugate base of alstonine(1+) (CHEBI:142530) |
| Incoming Relation(s) |
| alstonine(1+) (CHEBI:142530) is conjugate acid of alstonine (CHEBI:2612) |
| IUPAC Name |
|---|
| (19α,20α)-16-(methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium-1-ide |
| Synonyms | Source |
|---|---|
| alstonine | KEGG COMPOUND |
| alstonin | ChEBI |
| 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19α-methyl-20α-oxayohimbanium | ChEBI |
| Citations |
|---|