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ChEBI
> Main
CHEBI:6146 - kuwanone G
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ChEBI Ontology
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ChEBI Name
kuwanone G
ChEBI ID
CHEBI:6146
Definition
A tetrahydroxyflavone isolated from the root barks of
Morus alba
and has been shown to exhibit anti-inflammatory activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C40H36O11
Net Charge
0
Average Mass
692.70720
Monoisotopic Mass
692.22576
InChI
InChI=1S/C40H36O11/c1-
18(2)
4-
8-
26-
38(50)
36-
33(48)
17-
32(47)
35(40(36)
51-
39(26)
25-
11-
7-
22(43)
16-
31(25)
46)
28-
13-
19(3)
12-
27(23-
9-
5-
20(41)
14-
29(23)
44)
34(28)
37(49)
24-
10-
6-
21(42)
15-
30(24)
45/h4-
7,9-
11,13-
17,27-
28,34,41-
48H,8,12H2,1-
3H3/t27-
,28-
,34-
/m0/s1
InChIKey
APPXYONGBIXGRO-AIQWNVMPSA-N
SMILES
CC(C)
=CCc1c(oc2c([C@H]
3C=C(C)
C[C@H]
([C@@H]
3C(=O)
c3ccc(O)
cc3O)
c3ccc(O)
cc3O)
c(O)
cc(O)
c2c1=O)
-
c1ccc(O)
cc1O
Metabolite of Species
Details
Morus alba
(NCBI:txid3498)
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.
Application
(s):
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
kuwanone G (
CHEBI:6146
)
has role
anti-inflammatory agent (
CHEBI:67079
)
kuwanone G (
CHEBI:6146
)
has role
plant metabolite (
CHEBI:76924
)
kuwanone G (
CHEBI:6146
)
is a
resorcinols (
CHEBI:33572
)
kuwanone G (
CHEBI:6146
)
is a
tetrahydroxyflavone (
CHEBI:38684
)
IUPAC Name
8-
[(1
R
,2
S
,3
S
)-
2-
(2,4-
dihydroxybenzoyl)-
2',4'-
dihydroxy-
5-
methyl[1,2,3,6-
tetrahydro[1,1'-
biphenyl]]-
3-
yl]-
2-
(2,4-
dihydroxyphenyl)-
5,7-
dihydroxy-
3-
(3-
methylbut-
2-
en-
1-
yl)-
4
H
-
1-
benzopyran-
4-
one
Synonym
Source
Kuwanone G
KEGG COMPOUND
Manual Xrefs
Databases
C00001063
KNApSAcK
C10099
KEGG COMPOUND
View more database links
Registry Number
Type
Source
75629-19-5
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
23806866
PubMed citation
Europe PMC
Last Modified
16 March 2015