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CHEBI:136421 - riddelliine N-oxide
| Formula | C18H23NO7 |
| Net Charge | 0 |
| Average Mass | 365.382 |
| Monoisotopic Mass | 365.14745 |
| SMILES | [H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)/C(=C\C)CC(=C)[C@](O)(CO)C(=O)OC3 |
| InChI | InChI=1S/C18H23NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/b12-3-/t14-,15-,18-,19?/m1/s1 |
| InChIKey | NPENPMDVCQGSSO-AHPXGCJSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (12693032) | |
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (23937665) | |
| Jacobaea (ncbitaxon:405757) | |||
| leaf (BTO:0000713) | MetaboLights (MTBLS429) | ||
| leaf (BTO:0000713) | DOI (10.1007/s11306-017-1184-0) | ||
| Senecio riddellii (IPNI:233898-2) | whole plant (BTO:0001461) | PubMed (:2021243) |
| Roles Classification |
|---|
| Biological Roles: | Jacobaea metabolite Any plant metabolite that is produced by the genus Jacobaea. mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution. carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. genotoxin A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). 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) |
| riddelliine N-oxide (CHEBI:136421) has functional parent riddelliine (CHEBI:63924) |
| riddelliine N-oxide (CHEBI:136421) has role Jacobaea metabolite (CHEBI:139566) |
| riddelliine N-oxide (CHEBI:136421) has role carcinogenic agent (CHEBI:50903) |
| riddelliine N-oxide (CHEBI:136421) has role genotoxin (CHEBI:50902) |
| riddelliine N-oxide (CHEBI:136421) has role human xenobiotic metabolite (CHEBI:76967) |
| riddelliine N-oxide (CHEBI:136421) has role mutagen (CHEBI:25435) |
| riddelliine N-oxide (CHEBI:136421) has role rat metabolite (CHEBI:86264) |
| riddelliine N-oxide (CHEBI:136421) is a diol (CHEBI:23824) |
| riddelliine N-oxide (CHEBI:136421) is a macrocyclic lactone (CHEBI:63944) |
| riddelliine N-oxide (CHEBI:136421) is a olefinic compound (CHEBI:78840) |
| riddelliine N-oxide (CHEBI:136421) is a organic heterotricyclic compound (CHEBI:26979) |
| riddelliine N-oxide (CHEBI:136421) is a primary alcohol (CHEBI:15734) |
| riddelliine N-oxide (CHEBI:136421) is a pyrrolizine alkaloid (CHEBI:38521) |
| riddelliine N-oxide (CHEBI:136421) is a tertiary alcohol (CHEBI:26878) |
| riddelliine N-oxide (CHEBI:136421) is a tertiary amine oxide (CHEBI:134363) |
| IUPAC Name |
|---|
| (3Z,6S,14aR,14bR)-3-ethylidene-6-hydroxy-6-(hydroxymethyl)-5-methylidene-12-oxo-3,4,5,6,11,12,13,14,14a,14b-decahydro-9H-12λ5-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione |
| Synonym | Source |
|---|---|
| (15Z)-12,18-dihydroxy-13,19-didehydrosenecionan-11,16-dione 4-oxide | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 4944586 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6751274 | Reaxys |
| CAS:75056-11-0 | ChemIDplus |
| Citations |
|---|