Structure Database (LMSD)
Common Name
(+-)-5-Deoxykievitone
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of (+-)-5-Deoxykievitone
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)
JIJYZALGIIQXKE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-15-19(24)16(10-25-20(14)15)13-6-4-12(21)9-18(13)23/h3-4,6-9,16,21-23H,5,10H2,1-2H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OCC(C3=CC=C(O)C=C3O)C(=O)C=2C=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
318.51
Topological Polar Surface Area
89.06
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.96
Molar Refractivity
94.07
Admin
Created at
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Updated at
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