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ChEBI
> Main
CHEBI:91184 - dehydrodiconiferyl alcohol
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ChEBI Ontology
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ChEBI Name
dehydrodiconiferyl alcohol
ChEBI ID
CHEBI:91184
Definition
A guaiacyl lignin obtained by cyclodimerisation of coniferol.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:86705
Supplier Information
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Formula
C20H22O6
Net Charge
0
Average Mass
358.390
Monoisotopic Mass
358.14164
InChI
InChI=1S/C20H22O6/c1-
24-
17-
10-
13(5-
6-
16(17)
23)
19-
15(11-
22)
14-
8-
12(4-
3-
7-
21)
9-
18(25-
2)
20(14)
26-
19/h3-
6,8-
10,15,19,21-
23H,7,11H2,1-
2H3/b4-
3+
InChIKey
KUSXBOZNRPQEON-ONEGZZNKSA-N
SMILES
C=12OC(C(C1C=C(C=C2OC)/C=C/CO)CO)C3=CC(=C(C=C3)O)OC
Metabolite of Species
Details
Cucurbita moschata
(NCBI:txid3662)
See:
PubMed
Arabidopsis thaliana
(NCBI:txid3702)
Found in root
(BTO:0001188)
. See:
MetaboLights Study
Arabidopsis thaliana
(NCBI:txid3702)
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.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
(via
guaiacyl lignin
)
Application
(s):
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dehydrodiconiferyl alcohol (
CHEBI:91184
)
has functional parent
coniferol (
CHEBI:17745
)
dehydrodiconiferyl alcohol (
CHEBI:91184
)
has role
anti-inflammatory agent (
CHEBI:67079
)
dehydrodiconiferyl alcohol (
CHEBI:91184
)
has role
plant metabolite (
CHEBI:76924
)
dehydrodiconiferyl alcohol (
CHEBI:91184
)
is a
1-benzofurans (
CHEBI:38830
)
dehydrodiconiferyl alcohol (
CHEBI:91184
)
is a
guaiacols (
CHEBI:134251
)
dehydrodiconiferyl alcohol (
CHEBI:91184
)
is a
guaiacyl lignin (
CHEBI:64475
)
dehydrodiconiferyl alcohol (
CHEBI:91184
)
is a
primary alcohol (
CHEBI:15734
)
Incoming
(−)-dehydrodiconiferyl alcohol (
CHEBI:70467
)
is a
dehydrodiconiferyl alcohol (
CHEBI:91184
)
(+)-dehydrodiconiferyl alcohol (
CHEBI:143256
)
is a
dehydrodiconiferyl alcohol (
CHEBI:91184
)
IUPAC Name
4-
{3-
(hydroxymethyl)-
5-
[(1
E
)-
3-
hydroxyprop-
1-
en-
1-
yl]-
7-
methoxy-
2,3-
dihydro-
1-
benzofuran-
2-
yl}-
2-
methoxyphenol
Synonyms
Sources
dehydrodiconiferol
ChEBI
G(8-5)G
ChEBI
lignin cw compound-2004
ChEBI
Manual Xref
Database
CPD-18966
MetaCyc
View more database links
Registry Numbers
Types
Sources
346807
Reaxys Registry Number
Reaxys
4263-87-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
25261737
PubMed citation
Europe PMC
25802070
PubMed citation
Europe PMC
26271597
PubMed citation
Europe PMC
26362985
PubMed citation
Europe PMC
26477735
PubMed citation
Europe PMC
26601823
PubMed citation
Europe PMC
27077315
PubMed citation
Europe PMC
Last Modified
18 March 2019