Structure Database (LMSD)
Common Name
Irisolidone
Systematic Name
5,7-Dihydroxy-6,4'-dimethoxyisoflavone
Synonyms
- 4'-O-Methyltectorigenin
No other lipid differing only in stereochemistry/bond geometry found
3D model of Irisolidone
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)
VOOFPOMXNLNEOF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)11-8-23-13-7-12(18)17(22-2)16(20)14(13)15(11)19/h3-8,18,20H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3=CC=C(OC)C=C3)C(=O)C=2C(O)=C1OC
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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Updated at
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