EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:76103 - laudanine
| Formula | C20H25NO4 |
| Net Charge | 0 |
| Average Mass | 343.423 |
| Monoisotopic Mass | 343.17836 |
| SMILES | COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1O |
| InChI | InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3 |
| InChIKey | MPYHGNAJOKCMAQ-UHFFFAOYSA-N |
| 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| laudanine (CHEBI:76103) has functional parent norlaudanosoline (CHEBI:28770) |
| laudanine (CHEBI:76103) is a aromatic ether (CHEBI:35618) |
| laudanine (CHEBI:76103) is a benzylisoquinoline alkaloid (CHEBI:22750) |
| laudanine (CHEBI:76103) is a benzyltetrahydroisoquinoline (CHEBI:26901) |
| laudanine (CHEBI:76103) is a phenols (CHEBI:33853) |
| laudanine (CHEBI:76103) is conjugate base of laudanine(1+) (CHEBI:76102) |
| Incoming Relation(s) |
| (R)-laudanine (CHEBI:76105) is a laudanine (CHEBI:76103) |
| (S)-laudanine (CHEBI:76101) is a laudanine (CHEBI:76103) |
| laudanine(1+) (CHEBI:76102) is conjugate acid of laudanine (CHEBI:76103) |
| IUPAC Name |
|---|
| 5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol |