Structure Database (LMSD)
Systematic Name
5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone
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)
BTLJJJSGZVZCGB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-9-15(22)14-16(23)20(26-5)19(27-18(14)10(2)17(9)25-4)11-6-7-12(21)13(8-11)24-3/h6-8,21-22H,1-5H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
3
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
325.19
Topological Polar Surface Area
98.36
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
4.41
Molar Refractivity
100.49
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Updated at
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