Structure Database (LMSD)
Systematic Name
5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone
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)
WLLOTQCRMSKSCK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-9-13(23-2)8-12(21)15-16(22)19(25-4)18(26-17(9)15)10-5-6-11(20)14(7-10)24-3/h5-8,20-21H,1-4H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
307.89
Topological Polar Surface Area
98.36
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
4.11
Molar Refractivity
95.75
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Updated at
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