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ChEBI
> Main
CHEBI:5989 - isobutrin
Main
ChEBI Ontology
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ChEBI Name
isobutrin
ChEBI ID
CHEBI:5989
Definition
A member of the class of chalcones that is
trans
-chalcone substituted by β-
D
-glucopyranosyloxy groups at positions 3 and 4' and hydroxy groups at positions 4 and 2' respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H32O15
Net Charge
0
Average Mass
596.53400
Monoisotopic Mass
596.17412
InChI
InChI=1S/C27H32O15/c28-
9-
18-
20(33)
22(35)
24(37)
26(41-
18)
39-
12-
3-
4-
13(16(32)
8-
12)
14(30)
5-
1-
11-
2-
6-
15(31)
17(7-
11)
40-
27-
25(38)
23(36)
21(34)
19(10-
29)
42-
27/h1-
8,18-
29,31-
38H,9-
10H2/b5-
1+/t18-
,19-
,20-
,21-
,22+,23+,24-
,25-
,26-
,27-
/m1/s1
InChIKey
XOTWNDIAAITUKR-KUUXHJTOSA-N
SMILES
OC[C@H]
1O[C@@H]
(Oc2ccc(C(=O)
\C=C\c3ccc(O)
c(O[C@@H]
4O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
4O)
c3)
c(O)
c2)
[C@H]
(O)
[C@@H]
(O)
[C@@H]
1O
Metabolite of Species
Details
Butea monosperma
(NCBI:txid56060)
Found in flower
(BTO:0000469)
. 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):
hepatoprotective agent
Any compound that is able to prevent damage to the liver.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isobutrin (
CHEBI:5989
)
has functional parent
trans
-chalcone (
CHEBI:48965
)
isobutrin (
CHEBI:5989
)
has role
anti-inflammatory agent (
CHEBI:67079
)
isobutrin (
CHEBI:5989
)
has role
hepatoprotective agent (
CHEBI:62868
)
isobutrin (
CHEBI:5989
)
has role
plant metabolite (
CHEBI:76924
)
isobutrin (
CHEBI:5989
)
is a
β-
D
-glucoside (
CHEBI:22798
)
isobutrin (
CHEBI:5989
)
is a
chalcones (
CHEBI:23086
)
isobutrin (
CHEBI:5989
)
is a
monosaccharide derivative (
CHEBI:63367
)
isobutrin (
CHEBI:5989
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
5-
{(1
E
)-
3-
[4-
(β-
D
-
glucopyranosyloxy)-
2-
hydroxyphenyl]-
3-
oxoprop-
1-
en-
1-
yl}-
2-
hydroxyphenyl β-
D
-
glucopyranoside
Synonym
Source
3,4'-bis-β-
D
-glucopyranosyloxy-4,2'-dihydroxy-
trans
chalcone
ChEBI
Manual Xrefs
Databases
C00002382
KNApSAcK
C08649
KEGG COMPOUND
LMPK12120020
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
101892
Reaxys Registry Number
Reaxys
536-01-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
21608995
PubMed citation
Europe PMC
23680157
PubMed citation
Europe PMC
3725938
PubMed citation
Europe PMC
Last Modified
08 June 2015