Structure Database (LMSD)
Systematic Name
5,6,7,8-Tetramethoxyflavone
Synonyms
3D model of
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)
HLBQIAYRCJIRCQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-21-15-14-12(20)10-13(11-8-6-5-7-9-11)25-16(14)18(23-3)19(24-4)17(15)22-2/h5-10H,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC=CC=3)=CC(=O)C=2C(OC)=C1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
299.10
Topological Polar Surface Area
67.13
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
logP
4.39
Molar Refractivity
94.24
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Updated at
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