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CHEBI:15950 - (S)-coclaurine
| Formula | C17H19NO3 |
| Net Charge | 0 |
| Average Mass | 285.343 |
| Monoisotopic Mass | 285.13649 |
| SMILES | COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)NCC2 |
| InChI | InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m0/s1 |
| InChIKey | LVVKXRQZSRUVPY-HNNXBMFYSA-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) |
| (S)-coclaurine (CHEBI:15950) is a coclaurine (CHEBI:23347) |
| (S)-coclaurine (CHEBI:15950) is conjugate base of (S)-coclaurinium (CHEBI:57581) |
| (S)-coclaurine (CHEBI:15950) is enantiomer of (R)-coclaurine (CHEBI:27482) |
| Incoming Relation(s) |
| (S)-coclaurinium (CHEBI:57581) is conjugate acid of (S)-coclaurine (CHEBI:15950) |
| (R)-coclaurine (CHEBI:27482) is enantiomer of (S)-coclaurine (CHEBI:15950) |
| IUPAC Name |
|---|
| (1S)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol |
| Synonyms | Source |
|---|---|
| (S)-Coclaurine | KEGG COMPOUND |
| (S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol | KEGG COMPOUND |
| 1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline | KEGG COMPOUND |
| Coclaurine | ChemIDplus |