Structure Database (LMSD)
Common Name
Violanone
Systematic Name
7,3'-Dihydroxy-2',4'-dimethoxyisoflavanone
Synonyms
3D model of Violanone
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)
ILOKNKKFXJKHMB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-13-6-5-10(17(22-2)16(13)20)12-8-23-14-7-9(18)3-4-11(14)15(12)19/h3-7,12,18,20H,8H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(OC)C(O)=C3OC)C(=O)C=2C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
3
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
278.04
Topological Polar Surface Area
87.29
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
2.76
Molar Refractivity
82.37
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Updated at
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