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ChEBI
> Main
CHEBI:133347 - glyceollin IV
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ChEBI Ontology
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ChEBI Name
glyceollin IV
ChEBI ID
CHEBI:133347
Definition
A member of the class of pterocarpans carrying two hydroxy substituents at positions 6a and 9 as well as prenyl and methoxy substituents at positions 2 and 3 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H22O5
Net Charge
0
Average Mass
354.397
Monoisotopic Mass
354.14672
InChI
InChI=1S/C21H22O5/c1-
12(2)
4-
5-
13-
8-
15-
18(10-
17(13)
24-
3)
25-
11-
21(23)
16-
7-
6-
14(22)
9-
19(16)
26-
20(15)
21/h4,6-
10,20,22-
23H,5,11H2,1-
3H3/t20-
,21+/m0/s1
InChIKey
WOKIXZBYDPTMJD-LEWJYISDSA-N
SMILES
[C@@]12([C@](C3=C(OC1)C=C(C(=C3)CC=C(C)C)OC)(OC=4C2=CC=C(C4)O)[H])O
Metabolite of Species
Details
Glycine max
(NCBI:txid3847)
Found in seed
(BTO:0001226)
. See:
PubMed
Glycine max
(NCBI:txid3847)
Found in seed
(BTO:0001226)
. See:
MetaboLights Study
Glycine max
(NCBI:txid3847)
Found in seed
(BTO:0001226)
. See:
MetaboLights Study
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
glyceollin IV (
CHEBI:133347
)
has role
plant metabolite (
CHEBI:76924
)
glyceollin IV (
CHEBI:133347
)
is a
aromatic ether (
CHEBI:35618
)
glyceollin IV (
CHEBI:133347
)
is a
phenols (
CHEBI:33853
)
glyceollin IV (
CHEBI:133347
)
is a
pterocarpans (
CHEBI:26377
)
IUPAC Name
(6a
S
,11a
S
)-
3-
methoxy-
2-
(3-
methylbut-
2-
en-
1-
yl)-
6
H
-
[1]benzofuro[3,2-
c
][1]benzopyran-
6a,9(11a
H
)-
diol
Synonym
Source
6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpan
LIPID MAPS
Manual Xrefs
Databases
C00009690
KNApSAcK
LMPK12070117
LIPID MAPS
WO2012006750
Patent
View more database links
Registry Number
Type
Source
69393-94-8
CAS Registry Number
KNApSAcK
Citations
Types
Sources
19116342
PubMed citation
Europe PMC
21561073
PubMed citation
Europe PMC
25296697
PubMed citation
Europe PMC
25369450
PubMed citation
Europe PMC
Last Modified
24 February 2017