CHEBI:132791 - β-benzoyloxypaeoniflorin

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ChEBI Name β-benzoyloxypaeoniflorin
ChEBI ASCII Name beta-benzoyloxypaeoniflorin
Definition A monoterpene glycoside with formula C30H32O13, isolated from several species of Paeoniae.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C30H32O13
Net Charge 0
Average Mass 600.568
Monoisotopic Mass 600.18429
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
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)COC(C=2C=CC=CC2)=O)O)O)O)O[C@@]34[C@]5([C@@](C3)([C@@]6(O[C@]5(O[C@]4(C6)C)[H])O)[H])COC(C7=CC=C(C=C7)O)=O
Metabolite of Species Details
Paeonia lactiflora (NCBI:txid35924) See: PubMed
Paeonia delavayi (NCBI:txid40707) Found in root (BTO:0001188). See: PubMed
Paeonia suffruticosa (NCBI:txid45171) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC (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, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-benzoyloxypaeoniflorin (CHEBI:132791) has role EC (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 β-D-glucoside (CHEBI:22798)
β-benzoyloxypaeoniflorin (CHEBI:132791) is a 4-hydroxybenzoate ester (CHEBI:79323)
β-benzoyloxypaeoniflorin (CHEBI:132791) is a O-acyl carbohydrate (CHEBI:52782)
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)
[(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 Sources
Benzoyloxypaeoniflorin KNApSAcK
β-6'-benzoyloxypaeoniflorin ChEBI
β-oxypaeoniflorin 6'-benzoate ChEBI
Manual Xrefs Databases
46883190 PubChem
C00032759 KNApSAcK
View more database links
Registry Numbers Types Sources
72896-40-3 CAS Registry Number KNApSAcK
7507221 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11339628 PubMed citation Europe PMC
16270571 PubMed citation Europe PMC
17067761 PubMed citation Europe PMC
19586602 PubMed citation Europe PMC
20824965 PubMed citation Europe PMC
25230378 PubMed citation Europe PMC
8717280 PubMed citation Europe PMC
Last Modified
17 January 2017