Structure Database (LMSD)
Systematic Name
5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone
Synonyms
- 5,4',5'-Trihydroxy-3,6,7,8-tetramethoxyflavone
No other lipid differing only in stereochemistry/bond geometry found
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)
WQDGAXUSPJAKPY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O9/c1-24-16-12(22)11-13(23)17(25-2)19(27-4)18(26-3)15(11)28-14(16)8-5-6-9(20)10(21)7-8/h5-7,20-21,23H,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
3
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
325.47
Topological Polar Surface Area
127.82
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
9
logP
3.51
Molar Refractivity
99.23
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Updated at
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