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CHEBI:5952 - ipecoside
| Formula | C27H35NO12 |
| Net Charge | 0 |
| Average Mass | 565.572 |
| Monoisotopic Mass | 565.21593 |
| SMILES | [H][C@]1(C=C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]1([H])C[C@]1([H])c2cc(O)c(O)cc2CCN1C(C)=O |
| InChI | InChI=1S/C27H35NO12/c1-4-14-16(8-18-15-9-20(32)19(31)7-13(15)5-6-28(18)12(2)30)17(25(36)37-3)11-38-26(14)40-27-24(35)23(34)22(33)21(10-29)39-27/h4,7,9,11,14,16,18,21-24,26-27,29,31-35H,1,5-6,8,10H2,2-3H3/t14-,16+,18-,21-,22-,23+,24-,26+,27+/m1/s1 |
| InChIKey | QISXROCIXKXUPS-OWVLCBNUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Carapichea ipecacuanha (ncbitaxon:77880) | - | PubMed (18927081) |
| 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) |
| ipecoside (CHEBI:5952) has functional parent ipecoside aglycone (CHEBI:195262) |
| ipecoside (CHEBI:5952) has role plant metabolite (CHEBI:76924) |
| ipecoside (CHEBI:5952) is a acetamides (CHEBI:22160) |
| ipecoside (CHEBI:5952) is a isoquinoline alkaloid (CHEBI:24921) |
| ipecoside (CHEBI:5952) is a isoquinolinol (CHEBI:24923) |
| ipecoside (CHEBI:5952) is a methyl ester (CHEBI:25248) |
| ipecoside (CHEBI:5952) is a olefinic compound (CHEBI:78840) |
| ipecoside (CHEBI:5952) is a terpene glycoside (CHEBI:61777) |
| ipecoside (CHEBI:5952) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| methyl (2S,3R,4S)-4-{[(1R)-2-acetyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate |
| Synonym | Source |
|---|---|
| methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate | ChEBI |
| UniProt Name | Source |
|---|---|
| ipecoside | UniProt |
| Citations |
|---|