CHEBI:76192 - quadrangularin A

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ChEBI Name quadrangularin A
ChEBI ID CHEBI:76192
Definition An indane-derived stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C28H22O6
Net Charge 0
Average Mass 454.47070
Monoisotopic Mass 454.142
InChI InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9-/t26-,27+/m1/s1
InChIKey BIQMSWPBPAKGSE-PBSLAQMISA-N
SMILES Oc1ccc(\C=C2/[C@H]([C@@H](c3c2cc(O)cc3O)c2ccc(O)cc2)c2cc(O)cc(O)c2)cc1
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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.
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ChEBI Ontology
Outgoing quadrangularin A (CHEBI:76192) has functional parent resveratrol (CHEBI:27881)
quadrangularin A (CHEBI:76192) has role antioxidant (CHEBI:22586)
quadrangularin A (CHEBI:76192) has role plant metabolite (CHEBI:76924)
quadrangularin A (CHEBI:76192) is a indanes (CHEBI:46940)
quadrangularin A (CHEBI:76192) is a polyphenol (CHEBI:26195)
quadrangularin A (CHEBI:76192) is a stilbenoid (CHEBI:26776)
IUPAC Name
(1E,2R,3R)-2-(3,5-dihydroxyphenyl)-1-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
Database Link Database
Quadrangularin_A Wikipedia
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Registry Number Type Source
8370734 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17051632 PubMed citation Europe PMC
17382336 PubMed citation Europe PMC
17497424 PubMed citation Europe PMC
21510709 PubMed citation Europe PMC
23566915 PubMed citation Europe PMC
Last Modified
19 February 2014