Structure Database (LMSD)
Systematic Name
5,2'-Dihydroxy-7,8-dimethoxyisoflavone
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
ZVZYZFDFFCRAPS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-13-7-12(19)14-15(20)10(8-23-17(14)16(13)22-2)9-5-3-4-6-11(9)18/h3-8,18-19H,1-2H3
SMILES (Click to copy)
C1(OC)C=C(O)C2C(=O)C(C3=C(O)C=CC=C3)=COC=2C=1OC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
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
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Created at
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Updated at
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