Structure Database (LMSD)
Common Name
Kaempferol 7,4'-dimethyl ether
Systematic Name
3,5-Dihydroxy-7,4'-dimethoxyflavone
Synonyms
3D model of Kaempferol 7,4'-dimethyl ether
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
KZBAXKKOXPLOBX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=C(O)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
264.50
Topological Polar Surface Area
89.13
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
3.79
Molar Refractivity
84.46
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Updated at
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