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ChEBI
> Main
CHEBI:76192 - quadrangularin A
Main
ChEBI Ontology
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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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Wikipedia
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Read full article at Wikipedia
Formula
C28H22O6
Net Charge
0
Average Mass
454.47070
Monoisotopic Mass
454.14164
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.
View more via ChEBI Ontology
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
(1
E
,2
R
,3
R
)-
2-
(3,5-
dihydroxyphenyl)-
1-
(4-
hydroxybenzylidene)-
3-
(4-
hydroxyphenyl)-
2,3-
dihydro-
1
H
-
indene-
4,6-
diol
Manual Xref
Database
Quadrangularin_A
Wikipedia
View more database links
Registry Number
Type
Source
8370734
Reaxys Registry Number
Reaxys
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