Structure Database (LMSD)
Common Name
2'-Hydroxygenistein
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2'-Hydroxygenistein
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)
GSSOWCUOWLMMRJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC(O)=CC=3O)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
229.90
Topological Polar Surface Area
111.13
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
3.18
Molar Refractivity
74.69
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Created at
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Updated at
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