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CHEBI:17041 - (S)-N-methylcoclaurine
| Formula | C18H21NO3 |
| Net Charge | 0 |
| Average Mass | 299.370 |
| Monoisotopic Mass | 299.15214 |
| SMILES | COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)N(C)CC2 |
| InChI | InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m0/s1 |
| InChIKey | BOKVLBSSPUTWLV-INIZCTEOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-N-methylcoclaurine (CHEBI:17041) has role mouse metabolite (CHEBI:75771) |
| (S)-N-methylcoclaurine (CHEBI:17041) is a N-methylcoclaurine (CHEBI:38818) |
| (S)-N-methylcoclaurine (CHEBI:17041) is conjugate base of (S)-N-methylcoclaurinium(1+) (CHEBI:57993) |
| (S)-N-methylcoclaurine (CHEBI:17041) is enantiomer of (R)-N-methylcoclaurine (CHEBI:16387) |
| Incoming Relation(s) |
| (S)-N-methylcoclaurinium(1+) (CHEBI:57993) is conjugate acid of (S)-N-methylcoclaurine (CHEBI:17041) |
| (R)-N-methylcoclaurine (CHEBI:16387) is enantiomer of (S)-N-methylcoclaurine (CHEBI:17041) |
| IUPAC Name |
|---|
| (1S)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol |
| Synonyms | Source |
|---|---|
| (S)-N-Methylcoclaurine | KEGG COMPOUND |
| (S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol | KEGG COMPOUND |
| (S)-N-methylcoclaurine | ChEBI |
| (S)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol | ChEBI |