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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:73782 - praecanson A
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ChEBI Ontology
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ChEBI Name
praecanson A
ChEBI ID
CHEBI:73782
Definition
A member of the class of chalcones that is chalcone substituted by methoxy groups at positions 2', 6' and 9 and a dimethylpyrano ring substituted across positions 3' and 4'.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C23H24O5
Net Charge
0
Average Mass
380.43370
Monoisotopic Mass
380.16237
InChI
InChI=1S/C23H24O5/c1-
23(2)
12-
11-
16-
18(28-
23)
14-
20(26-
4)
21(22(16)
27-
5)
19(25-
3)
13-
17(24)
15-
9-
7-
6-
8-
10-
15/h6-
14H,1-
5H3/b19-
13-
InChIKey
CDFJITYOZNLONM-UYRXBGFRSA-N
SMILES
CO\C(=C/C(=O)c1ccccc1)c1c(OC)cc2OC(C)(C)C=Cc2c1OC
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
praecanson A (
CHEBI:73782
)
has role
metabolite (
CHEBI:25212
)
praecanson A (
CHEBI:73782
)
is a
chalcones (
CHEBI:23086
)
praecanson A (
CHEBI:73782
)
is a
enol ether (
CHEBI:47985
)
IUPAC Name
(2
Z
)-3-(5,7-dimethoxy-2,2-dimethyl-2
H
-chromen-6-yl)-3-methoxy-1-phenylprop-2-en-1-one
Synonym
Source
9,2',6'-trimethoxy-6'',6''-dimethylpyrano-(3',4':2'',3'')-chalcone
ChEBI
Manual Xref
Database
LMPK12120392
LIPID MAPS
View more database links
Registry Number
Type
Source
5140767
Reaxys Registry Number
Reaxys
Last Modified
16 September 2013