EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:2537 - alangimarine
| Formula | C19H16N2O3 |
| Net Charge | 0 |
| Average Mass | 320.348 |
| Monoisotopic Mass | 320.11609 |
| SMILES | C=Cc1cncc2c(=O)n3c(cc12)-c1cc(O)c(OC)cc1CC3 |
| InChI | InChI=1S/C19H16N2O3/c1-3-11-9-20-10-15-13(11)7-16-14-8-17(22)18(24-2)6-12(14)4-5-21(16)19(15)23/h3,6-10,22H,1,4-5H2,2H3 |
| InChIKey | JWOCTFIJQXTYOK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alangium salviifolium (ncbitaxon:616984) | - | Article (Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21) |
| Roles Classification |
|---|
| Biological Roles: | 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) |
| alangimarine (CHEBI:2537) has role plant metabolite (CHEBI:76924) |
| alangimarine (CHEBI:2537) is a aromatic ether (CHEBI:35618) |
| alangimarine (CHEBI:2537) is a benzopyridoquinolizidine derivative (CHEBI:61880) |
| alangimarine (CHEBI:2537) is a isoquinoline alkaloid (CHEBI:24921) |
| alangimarine (CHEBI:2537) is a isoquinolinonaphthyridine (CHEBI:49316) |
| alangimarine (CHEBI:2537) is a olefinic compound (CHEBI:78840) |
| alangimarine (CHEBI:2537) is a phenols (CHEBI:33853) |
| IUPAC Name |
|---|
| 12-ethenyl-2-hydroxy-3-methoxy-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one |
| Synonyms | Source |
|---|---|
| Alangimarine | KEGG COMPOUND |
| 2-hydroxy-3-methoxy-12-vinyl-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one | IUPAC |