Structure Database (LMSD)
Common Name
Hookerianin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Hookerianin
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)
NVGQZFJWDWMWMT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H20O6/c1-23(2)12-14(22(25)29-23)19-17(26-3)11-18(27-4)20-15(24)10-16(28-21(19)20)13-8-6-5-7-9-13/h5-12H,1-4H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3)OC=1C(C1=CC(C)(C)OC1=O)=C(OC)C=C2OC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
350.66
Topological Polar Surface Area
77.04
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
logP
5.38
Molar Refractivity
109.79
Admin
Created at
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Updated at
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