EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:9509 - thalicarpine
| Formula | C41H48N2O8 |
| Net Charge | 0 |
| Average Mass | 696.841 |
| Monoisotopic Mass | 696.34107 |
| SMILES | [H][C@]1(Cc2cc(OC)c(OC)cc2Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@]([H])(C3)N(C)CC4)c2cc(OC)c(OC)cc2CCN1C |
| InChI | InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1 |
| InChIKey | ZCTJIMXXSXQXRI-KYJUHHDHSA-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) |
| thalicarpine (CHEBI:9509) is a bisbenzylisoquinoline alkaloid (CHEBI:133004) |
| thalicarpine (CHEBI:9509) is a isoquinolines (CHEBI:24922) |
| IUPAC Names |
|---|
| (6aS)-9-(2-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| (6aS)-9-(2-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-1,2,10-trimethoxyaporphine |
| Synonyms | Source |
|---|---|
| Thalicarpine | KEGG COMPOUND |
| Taliblastine | ChemIDplus |
| TBL | ChemIDplus |