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CHEBI:65478 - swertianolin
| Formula | C20H20O11 |
| Net Charge | 0 |
| Average Mass | 436.369 |
| Monoisotopic Mass | 436.10056 |
| SMILES | COc1cc(O)c2c(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc(O)c3oc2c1 |
| InChI | InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1 |
| InChIKey | XMVBNLMKPMPWAX-DIKOWXHZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Swertia punctata (IPNI:371052-1) | - | DOI (10.1016/S0031-9422(02)00231-5) | |
| Gentiana germanica (IPNI:368223-1) | - | DOI (10.1016/S0031-9422(00)89285-7) | |
| Gentiana ramosa (IPNI:368797-1) | - | DOI (10.1016/S0031-9422(00)89285-7) | |
| Swertia japonica (ncbitaxon:137129) | - | DOI (10.1248/cpb.30.4088) | |
| Swertia purpurascens (IPNI:371054-1) | - | PubMed (4527698) | |
| Swertia perennis (ncbitaxon:39379) | - | DOI (1002/hlca.19760590517) | |
| Swertia macrosperma (ncbitaxon:137130) | - | PubMed (2239318) | |
| Swertia cincta (ncbitaxon:149059) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia calycina (ncbitaxon:166613) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia nervosa (ncbitaxon:363513) | - | DOI (10.1002/cbdv.200490123) | |
| Gentianella campestris (ncbitaxon:49940) | - | PubMed (15490334) | |
| Swertia pubescens (ncbitaxon:166623) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia fasciculata (IPNI:968989-1) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia punicea (ncbitaxon:137131) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia bimaculata (ncbitaxon:148627) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia chirata (IPNI:60447539-2) | - | DOI (10.1248/cpb.30.4088) | |
| Swertia angustifolia (ncbitaxon:166611) | - | Article (INDIAN J CHEM,1980,19B, 10, 929) |
| 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. EC 3.1.1.7 (acetylcholinesterase) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| swertianolin (CHEBI:65478) has functional parent bellidifolin (CHEBI:3008) |
| swertianolin (CHEBI:65478) has role antioxidant (CHEBI:22586) |
| swertianolin (CHEBI:65478) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| swertianolin (CHEBI:65478) has role plant metabolite (CHEBI:76924) |
| swertianolin (CHEBI:65478) is a aromatic ether (CHEBI:35618) |
| swertianolin (CHEBI:65478) is a monosaccharide derivative (CHEBI:63367) |
| swertianolin (CHEBI:65478) is a xanthone glycoside (CHEBI:83231) |
| swertianolin (CHEBI:65478) is a β-D-glucoside (CHEBI:22798) |
| Incoming Relation(s) |
| tetrahydroswertianolin (CHEBI:65479) has functional parent swertianolin (CHEBI:65478) |
| IUPAC Name |
|---|
| 4,8-dihydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| Bellidifolin-8-O-glucoside | KEGG COMPOUND |
| 5,8-Dihydroxy-3-methoxyxanthone-1-O-glucoside | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1695120 | Reaxys |
| CAS:23445-00-3 | KEGG COMPOUND |
| CAS:23445-00-3 | ChemIDplus |
| Citations |
|---|