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CHEBI:132667 - pseudobrucine
| Formula | C23H26N2O5 |
| Net Charge | 0 |
| Average Mass | 410.470 |
| Monoisotopic Mass | 410.18417 |
| SMILES | [H][C@@]12N3C(=O)C[C@]4([H])OCC=C5CN6CC[C@@]1(c1cc(OC)c(OC)cc13)[C@]6(O)C[C@]5([H])[C@]24[H] |
| InChI | InChI=1S/C23H26N2O5/c1-28-16-7-14-15(8-17(16)29-2)25-19(26)9-18-20-13-10-23(27)22(14,21(20)25)4-5-24(23)11-12(13)3-6-30-18/h3,7-8,13,18,20-21,27H,4-6,9-11H2,1-2H3/t13-,18-,20-,21-,22-,23+/m0/s1 |
| InChIKey | JNNROFOMHXIAMQ-UDSSAEOASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (8103941) | |
| Strychnos nux-vomica (ncbitaxon:28545) | seed (BTO:0001226) | PubMed (25594733) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pseudobrucine (CHEBI:132667) has functional parent brucine (CHEBI:3193) |
| pseudobrucine (CHEBI:132667) has role human xenobiotic metabolite (CHEBI:76967) |
| pseudobrucine (CHEBI:132667) has role plant metabolite (CHEBI:76924) |
| pseudobrucine (CHEBI:132667) is a aromatic ether (CHEBI:35618) |
| pseudobrucine (CHEBI:132667) is a hemiaminal (CHEBI:73080) |
| pseudobrucine (CHEBI:132667) is a monoterpenoid indole alkaloid (CHEBI:65323) |
| pseudobrucine (CHEBI:132667) is a organic heteroheptacyclic compound (CHEBI:52157) |
| pseudobrucine (CHEBI:132667) is a δ-lactam (CHEBI:77727) |
| IUPAC Name |
|---|
| 16-hydroxy-2,3-dimethoxystrychnidin-10-one |
| Synonym | Source |
|---|---|
| 16-Hydroxybrucine | KNApSAcK |
| Citations |
|---|