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CHEBI:69557 - 7-demethoxyegonol
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ChEBI Ontology
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ChEBI Name
7-demethoxyegonol
ChEBI ID
CHEBI:69557
Definition
A member of the class of 1-benzofurans that is egonol in which the methoxy group at position 7 is replaced by a hydrogen. It has been isolated from the fruits of
Styrax agrestis
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H16O4
Net Charge
0
Average Mass
296.31720
Monoisotopic Mass
296.10486
InChI
InChI=1S/C18H16O4/c19-
7-
1-
2-
12-
3-
5-
15-
14(8-
12)
10-
17(22-
15)
13-
4-
6-
16-
18(9-
13)
21-
11-
20-
16/h3-
6,8-
10,19H,1-
2,7,11H2
InChIKey
YQEPMZLWYOAQNI-UHFFFAOYSA-N
SMILES
OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1
Metabolite of Species
Details
Styrax agrestis
(NCBI:txid153522)
Found in ripe fruit
(PO:0007038)
. Dried, powdered fruits were extracted with ethylacetate. See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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
7-demethoxyegonol (
CHEBI:69557
)
has functional parent
egonol (
CHEBI:69558
)
7-demethoxyegonol (
CHEBI:69557
)
has parent hydride
1-benzofuran (
CHEBI:35260
)
7-demethoxyegonol (
CHEBI:69557
)
has role
metabolite (
CHEBI:25212
)
7-demethoxyegonol (
CHEBI:69557
)
has role
plant metabolite (
CHEBI:76924
)
7-demethoxyegonol (
CHEBI:69557
)
is a
1-benzofurans (
CHEBI:38830
)
7-demethoxyegonol (
CHEBI:69557
)
is a
benzodioxoles (
CHEBI:38298
)
7-demethoxyegonol (
CHEBI:69557
)
is a
primary alcohol (
CHEBI:15734
)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol
Synonyms
Sources
5-(3-hydroxypropyl)-2-(3,4-methylenedioxyphenyl)benzofuran
ChEBI
demethoxyegonol
ChEBI
Registry Number
Type
Source
1390615
Reaxys Registry Number
Reaxys
Citation
Type
Source
21939219
PubMed citation
Europe PMC
Last Modified
02 December 2013