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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:5963 - iridin
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ChEBI Name
iridin
ChEBI ID
CHEBI:5963
Definition
A glycosyloxyisoflavone that is irigenin substituted by a β-
D
-glucopyranosyl residue at position 7 via a glycosidic linkage.
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
C24H26O13
Net Charge
0
Average Mass
522.45540
Monoisotopic Mass
522.13734
InChI
InChI=1S/C24H26O13/c1-
32-
13-
5-
9(4-
11(26)
22(13)
33-
2)
10-
8-
35-
12-
6-
14(23(34-
3)
19(29)
16(12)
17(10)
27)
36-
24-
21(31)
20(30)
18(28)
15(7-
25)
37-
24/h4-
6,8,15,18,20-
21,24-
26,28-
31H,7H2,1-
3H3/t15-
,18-
,20+,21-
,24-
/m1/s1
InChIKey
LNQCUTNLHUQZLR-OZJWLQQPSA-N
SMILES
COc1cc(cc(O)c1OC)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c(O)c2c1=O
Metabolite of Species
Details
Iris germanica
(NCBI:txid34205)
Found in rhizome
(BTO:0001181)
. See:
PubMed
Iris domestica
(NCBI:txid58944)
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
iridin (
CHEBI:5963
)
has functional parent
irigenin (
CHEBI:81409
)
iridin (
CHEBI:5963
)
has role
plant metabolite (
CHEBI:76924
)
iridin (
CHEBI:5963
)
is a
4'-methoxyisoflavones (
CHEBI:133959
)
iridin (
CHEBI:5963
)
is a
7-hydroxyisoflavones 7-
O
-β-
D
-glucoside (
CHEBI:140301
)
iridin (
CHEBI:5963
)
is a
hydroxyisoflavone (
CHEBI:38755
)
iridin (
CHEBI:5963
)
is a
monosaccharide derivative (
CHEBI:63367
)
IUPAC Name
5-
hydroxy-
3-
(3-
hydroxy-
4,5-
dimethoxyphenyl)-
6-
methoxy-
4-
oxo-
4
H
-
1-
benzopyran-
7-
yl β-
D
-
glucopyranoside
Synonyms
Sources
irigenin 7-
O
-β-
D
-glucopyranoside
ChEBI
irigenin 7-
O
-glucoside
KNApSAcK
Manual Xrefs
Databases
C00010137
KNApSAcK
C10465
KEGG COMPOUND
Iridin
Wikipedia
LMPK12050415
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
491-74-7
CAS Registry Number
KEGG COMPOUND
491-74-7
CAS Registry Number
ChemIDplus
71893
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21465599
PubMed citation
Europe PMC
22388969
PubMed citation
Europe PMC
25204177
PubMed citation
Europe PMC
Last Modified
03 March 2018