Structure Database (LMSD)
Common Name
chrysin 5,7-dimethyl ether
Systematic Name
5,7-Dimethoxyflavone
Synonyms
3D model of chrysin 5,7-dimethyl ether
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
JRFZSUMZAUHNSL-UHFFFAOYSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(OC)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
246.92
Topological Polar Surface Area
48.67
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
logP
4.38
Molar Refractivity
81.13
Admin
Created at
-
Updated at
-