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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 |
|---|---|---|---|
| Aegle marmelos (ncbitaxon:68527) | fruit (BTO:0000486) | PubMed (26247834) | |
| Angelica dahurica var. formosana (ncbitaxon:714446) | root (BTO:0001188) | PubMed (26552172) | |
| Cnidium monnieri (ncbitaxon:94007) | fruit (BTO:0000486) | PubMed (23721280) | |
| Ligusticopsis wallichiana (ncbitaxon:239653) | root (BTO:0001188) | PubMed (26653144) |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | P450 inhibitor An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| 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 |
|---|---|
| Ammijin | ChemIDplus |
| (-)-Marmesinin | ChemIDplus |
| (−)-marmesin β-D-glucoside | ChEBI |
| (S)-2-(1-(beta-D-Glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one | ChemIDplus |
| Citations |
|---|