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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:8616 - psoralidin
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ChEBI Name
psoralidin
ChEBI ID
CHEBI:8616
Definition
A member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 2 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H16O5
Net Charge
0
Average Mass
336.33800
Monoisotopic Mass
336.09977
InChI
InChI=1S/C20H16O5/c1-
10(2)
3-
4-
11-
7-
14-
17(9-
15(11)
22)
25-
20(23)
18-
13-
6-
5-
12(21)
8-
16(13)
24-
19(14)
18/h3,5-
9,21-
22H,4H2,1-
2H3
InChIKey
YABIJLLNNFURIJ-UHFFFAOYSA-N
SMILES
CC(C)=CCc1cc2c3oc4cc(O)ccc4c3c(=O)oc2cc1O
Metabolite of Species
Details
Cullen corylifolium
(NCBI:txid429560)
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.
estrogen receptor agonist
An agonist at the estrogen receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
psoralidin (
CHEBI:8616
)
has functional parent
coumestan (
CHEBI:72578
)
psoralidin (
CHEBI:8616
)
has role
estrogen receptor agonist (
CHEBI:63951
)
psoralidin (
CHEBI:8616
)
has role
plant metabolite (
CHEBI:76924
)
psoralidin (
CHEBI:8616
)
is a
δ-lactone (
CHEBI:18946
)
psoralidin (
CHEBI:8616
)
is a
coumestans (
CHEBI:72577
)
psoralidin (
CHEBI:8616
)
is a
polyphenol (
CHEBI:26195
)
IUPAC Name
3,9-dihydroxy-2-(3-methylbut-2-en-1-yl)-6
H
-[1]benzofuro[3,2-
c
][1]benzopyran-6-one
Synonym
Source
3,9-Dihydroxy-2-prenylcoumestan
LIPID MAPS
Manual Xrefs
Databases
C00002566
KNApSAcK
C10523
KEGG COMPOUND
HMDB0034050
HMDB
LMPK12090007
LIPID MAPS
Psoralidin
Wikipedia
View more database links
Registry Numbers
Types
Sources
18642-23-4
CAS Registry Number
ChemIDplus
320069
Reaxys Registry Number
Reaxys
Citations
Types
Sources
24507928
PubMed citation
Europe PMC
25216634
PubMed citation
Europe PMC
Last Modified
12 June 2015