Structure Database (LMSD)
Systematic Name
5-Hydroxy-6,7,4'-trimethoxyflavanone
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)
WOJRCCMCPJKNHZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-7,9,13,20H,8H2,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C(O)=C1OC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
3
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
295.34
Topological Polar Surface Area
76.29
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
3.12
Molar Refractivity
86.52
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Created at
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Updated at
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