Structure Database (LMSD)
Systematic Name
5,7-Dihydroxy-6,2'-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)
AELVNGRVQZQCDD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-12-6-4-3-5-9(12)10-8-23-13-7-11(18)17(22-2)16(20)14(13)15(10)19/h3-8,18,20H,1-2H3
SMILES (Click to copy)
C1(O)C(OC)=C(O)C2C(=O)C(C3=C(OC)C=CC=C3)=COC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
264.50
Topological Polar Surface Area
89.13
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
3.79
Molar Refractivity
84.46
Admin
Created at
-
Updated at
-