Structure Database (LMSD)
Systematic Name
5,7-Dimethoxyisoflavone
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)
CDSSYLTXYXEANW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O4/c1-19-12-8-14(20-2)16-15(9-12)21-10-13(17(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC=C(C3C=CC=CC=3)C(=O)C=2C(OC)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
246.92
Topological Polar Surface Area
48.67
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
logP
4.38
Molar Refractivity
81.13
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Updated at
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