EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
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 |
|---|---|---|---|
| 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) | |
| Gentianella campestris (ncbitaxon:49940) | - | PubMed (15490334) | |
| Swertia angustifolia (ncbitaxon:166611) | - | Article (INDIAN J CHEM,1980,19B, 10, 929) | |
| Swertia bimaculata (ncbitaxon:148627) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia calycina (ncbitaxon:166613) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia chirata (IPNI:60447539-2) | - | DOI (10.1248/cpb.30.4088) | |
| Swertia cincta (ncbitaxon:149059) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia fasciculata (IPNI:968989-1) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia japonica (ncbitaxon:137129) | - | DOI (10.1248/cpb.30.4088) | |
| Swertia macrosperma (ncbitaxon:137130) | - | PubMed (2239318) | |
| Swertia nervosa (ncbitaxon:363513) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia perennis (ncbitaxon:39379) | - | DOI (1002/hlca.19760590517) | |
| Swertia pubescens (ncbitaxon:166623) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia punctata (IPNI:371052-1) | - | DOI (10.1016/S0031-9422(02)00231-5) | |
| Swertia punicea (ncbitaxon:137131) | - | DOI (10.1002/cbdv.200490123) | |
| Swertia purpurascens (IPNI:371054-1) | - | PubMed (4527698) |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | 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. 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) |
| 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 |
|---|---|
| 5,8-Dihydroxy-3-methoxyxanthone-1-O-glucoside | ChemIDplus |
| Bellidifolin-8-O-glucoside | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1695120 | Reaxys |
| CAS:23445-00-3 | KEGG COMPOUND |
| CAS:23445-00-3 | ChemIDplus |
| Citations |
|---|