Structure Database (LMSD)
Common Name
Quercetin 3,7-dimethyl ether
Systematic Name
5,3',4'-Trihydroxy-3,7-dimethoxyflavone
Synonyms
3D model of Quercetin 3,7-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)
LUJAXSNNYBCFEE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
273.29
Topological Polar Surface Area
109.36
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
3.49
Molar Refractivity
86.13
Admin
Created at
-
Updated at
-