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CHEBI:132401 - marmesinin
| Formula | C20H24O9 |
| Net Charge | 0 |
| Average Mass | 408.403 |
| Monoisotopic Mass | 408.14203 |
| SMILES | CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 |
| InChI | InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14+,16-,17+,18-,19+/m1/s1 |
| InChIKey | HXCGUCZXPFBNRD-NEDVQNLSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ligusticopsis wallichiana (ncbitaxon:239653) | root (BTO:0001188) | PubMed (26653144) | |
| Cnidium monnieri (ncbitaxon:94007) | fruit (BTO:0000486) | PubMed (23721280) | |
| Angelica dahurica var. formosana (ncbitaxon:714446) | root (BTO:0001188) | PubMed (26552172) | |
| Aegle marmelos (ncbitaxon:68527) | fruit (BTO:0000486) | PubMed (26247834) |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. P450 inhibitor An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| marmesinin (CHEBI:132401) has functional parent nodakenetin (CHEBI:132623) |
| marmesinin (CHEBI:132401) has role antioxidant (CHEBI:22586) |
| marmesinin (CHEBI:132401) has role P450 inhibitor (CHEBI:50183) |
| marmesinin (CHEBI:132401) has role plant metabolite (CHEBI:76924) |
| marmesinin (CHEBI:132401) is a monosaccharide derivative (CHEBI:63367) |
| marmesinin (CHEBI:132401) is a psoralens (CHEBI:26369) |
| marmesinin (CHEBI:132401) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-9][1]benzopyran-2-yl]propan-2-yl β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| (S)-2-(1-(beta-D-Glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one | ChemIDplus |
| Ammijin | ChemIDplus |
| (-)-Marmesinin | ChemIDplus |
| (−)-marmesin β-D-glucoside | ChEBI |
| Citations |
|---|