Structure Database (LMSD)
Systematic Name
3-Hydroxy-5,7,8-trimethoxyflavone
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)
WAWJFYVZZGEXBU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-21-11-9-12(22-2)17(23-3)18-13(11)14(19)15(20)16(24-18)10-7-5-4-6-8-10/h4-9,20H,1-3H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C(OC)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
3
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
281.80
Topological Polar Surface Area
78.13
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
4.09
Molar Refractivity
89.35
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Updated at
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