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CHEBI:132791 - β-benzoyloxypaeoniflorin
| Formula | C30H32O13 |
| Net Charge | 0 |
| Average Mass | 600.573 |
| Monoisotopic Mass | 600.18429 |
| SMILES | [H][C@]12O[C@]3(O)C[C@](C)(O1)[C@@]1(O[C@@H]4O[C@H](COC(=O)c5ccccc5)[C@@H](O)[C@H](O)[C@H]4O)C[C@]3([H])[C@@]21COC(=O)c1ccc(O)cc1 |
| InChI | InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)16-7-9-17(31)10-8-16)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)15-5-3-2-4-6-15/h2-10,18-22,25-26,31-34,37H,11-14H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28+,29-,30+/m1/s1 |
| InChIKey | VIWQCBZFJFSCLC-HRCYFWENSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Paeonia delavayi (ncbitaxon:40707) | root (BTO:0001188) | PubMed (17067761) | |
| Paeonia suffruticosa (ncbitaxon:45171) | root (BTO:0001188) | PubMed (19586602) | |
| Paeonia lactiflora (ncbitaxon:35924) | - | PubMed (20824965) |
| Roles Classification |
|---|
| Biological Roles: | EC 1.14.18.1 (tyrosinase) inhibitor Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | platelet aggregation inhibitor A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-benzoyloxypaeoniflorin (CHEBI:132791) has role EC 1.14.18.1 (tyrosinase) inhibitor (CHEBI:59997) |
| β-benzoyloxypaeoniflorin (CHEBI:132791) has role plant metabolite (CHEBI:76924) |
| β-benzoyloxypaeoniflorin (CHEBI:132791) has role platelet aggregation inhibitor (CHEBI:50427) |
| β-benzoyloxypaeoniflorin (CHEBI:132791) is a O-acyl carbohydrate (CHEBI:52782) |
| β-benzoyloxypaeoniflorin (CHEBI:132791) is a 4-hydroxybenzoate ester (CHEBI:79323) |
| β-benzoyloxypaeoniflorin (CHEBI:132791) is a bridged compound (CHEBI:35990) |
| β-benzoyloxypaeoniflorin (CHEBI:132791) is a cyclic acetal (CHEBI:59770) |
| β-benzoyloxypaeoniflorin (CHEBI:132791) is a lactol (CHEBI:38131) |
| β-benzoyloxypaeoniflorin (CHEBI:132791) is a monoterpene glycoside (CHEBI:72293) |
| β-benzoyloxypaeoniflorin (CHEBI:132791) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| [(1aR,2S,3aR,5R,5aR,5bS)-1a-[(6-O-benzoyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-methyltetrahydro-1H-2,5-methano-3,4-dioxacyclobuta[cd]pentalen-5b(3aH)-yl]methyl 4-hydroxybenzoate |
| Synonyms | Source |
|---|---|
| β-6'-benzoyloxypaeoniflorin | ChEBI |
| Benzoyloxypaeoniflorin | KNApSAcK |
| β-oxypaeoniflorin 6'-benzoate | ChEBI |
| Citations |
|---|