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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 |
|---|---|---|---|
| Strychnos nux-vomica (ncbitaxon:28545) | seed (BTO:0001226) | PubMed (25594733) | |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (8103941) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. 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 |
|---|