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CHEBI:2981 - baicalin
| Formula | C21H18O11 |
| Net Charge | 0 |
| Average Mass | 446.364 |
| Monoisotopic Mass | 446.08491 |
| SMILES | O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 |
| InChIKey | IKIIZLYTISPENI-ZFORQUDYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Scutellaria baicalensis (ncbitaxon:65409) | root (BTO:0001188) | PubMed (21087019) |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor A DNA polymerase inhibitor that interferes with the action of a RNA-directed RNA polymerase (EC 2.7.7.48). antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. ferroptosis inhibitor Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. EC 3.4.21.26 (prolyl oligopeptidase) inhibitor Any EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of prolyl oligopeptidase (EC 3.4.21.26). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. non-steroidal anti-inflammatory drug An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. antiatherosclerotic agent A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent. prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. cardioprotective agent Any protective agent that is able to prevent damage to the heart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| baicalin (CHEBI:2981) has functional parent baicalein (CHEBI:2979) |
| baicalin (CHEBI:2981) has role antiatherosclerotic agent (CHEBI:145947) |
| baicalin (CHEBI:2981) has role antibacterial agent (CHEBI:33282) |
| baicalin (CHEBI:2981) has role anticoronaviral agent (CHEBI:149553) |
| baicalin (CHEBI:2981) has role antineoplastic agent (CHEBI:35610) |
| baicalin (CHEBI:2981) has role antioxidant (CHEBI:22586) |
| baicalin (CHEBI:2981) has role cardioprotective agent (CHEBI:77307) |
| baicalin (CHEBI:2981) has role EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor (CHEBI:170010) |
| baicalin (CHEBI:2981) has role EC 3.4.21.26 (prolyl oligopeptidase) inhibitor (CHEBI:76779) |
| baicalin (CHEBI:2981) has role ferroptosis inhibitor (CHEBI:173084) |
| baicalin (CHEBI:2981) has role neuroprotective agent (CHEBI:63726) |
| baicalin (CHEBI:2981) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| baicalin (CHEBI:2981) has role plant metabolite (CHEBI:76924) |
| baicalin (CHEBI:2981) has role prodrug (CHEBI:50266) |
| baicalin (CHEBI:2981) is a dihydroxyflavone (CHEBI:38686) |
| baicalin (CHEBI:2981) is a glucosiduronic acid (CHEBI:24302) |
| baicalin (CHEBI:2981) is a glycosyloxyflavone (CHEBI:50018) |
| baicalin (CHEBI:2981) is a monosaccharide derivative (CHEBI:63367) |
| baicalin (CHEBI:2981) is conjugate acid of baicalin(1−) (CHEBI:61283) |
| Incoming Relation(s) |
| baicalin(1−) (CHEBI:61283) is conjugate base of baicalin (CHEBI:2981) |
| IUPAC Name |
|---|
| 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| Baicalin | KEGG COMPOUND |
| baicalein 7-O-glucuronide | KEGG COMPOUND |
| 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid | ChemIDplus |
| 7-D-glucuronic acid-5,6-dihydroxyflavone | ChemIDplus |
| 5,6,7-trihydroxyflavone 7-O-β-D-glucuronide | ChEBI |
| baicalein 7-glucuronide | KNApSAcK |
| Manual Xrefs | Databases |
|---|---|
| C10025 | KEGG COMPOUND |
| Baicalin | Wikipedia |
| CPD-12725 | MetaCyc |
| LMPK12111081 | LIPID MAPS |
| HMDB0041832 | HMDB |
| CN102584918 | Patent |
| WO2012119458 | Patent |
| C00001024 | KNApSAcK |
| 4055 | DrugCentral |
| 0XE | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Reaxys:70480 | Reaxys |
| CAS:21967-41-9 | KEGG COMPOUND |
| CAS:21967-41-9 | ChemIDplus |
| Citations |
|---|