Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:3684 - chrysin 5,7-dimethyl ether
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
chrysin 5,7-dimethyl ether
ChEBI ID
CHEBI:3684
Definition
A dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C17H14O4
Net Charge
0
Average Mass
282.29070
Monoisotopic Mass
282.08921
InChI
InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
JRFZSUMZAUHNSL-UHFFFAOYSA-N
SMILES
COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccccc1
Metabolite of Species
Details
Boesenbergia rotunda
(NCBI:txid97729)
Found in rhizome
(BTO:0001181)
. See:
DOI
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
chrysin 5,7-dimethyl ether (
CHEBI:3684
)
has functional parent
chrysin (
CHEBI:75095
)
chrysin 5,7-dimethyl ether (
CHEBI:3684
)
has role
plant metabolite (
CHEBI:76924
)
chrysin 5,7-dimethyl ether (
CHEBI:3684
)
is a
dimethoxyflavone (
CHEBI:23798
)
IUPAC Name
5,7-dimethoxy-2-phenyl-4
H
-1-benzopyran-4-one
Synonyms
Sources
5,7-Dimethoxyflavone
KEGG COMPOUND
chrysin dimethyl ether
ChemIDplus
Manual Xrefs
Databases
C00001028
KNApSAcK
C10029
KEGG COMPOUND
HMDB0036620
HMDB
LMPK12110188
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
21392-57-4
CAS Registry Number
KEGG COMPOUND
21392-57-4
CAS Registry Number
ChemIDplus
285983
Reaxys Registry Number
Reaxys
Last Modified
04 June 2015