Structure Database (LMSD)
Systematic Name
5-Hydroxy-7,2'-dimethoxyflavone
Synonyms
3D model of
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)
AYJUELGFLABMLR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O5/c1-20-10-7-12(18)17-13(19)9-15(22-16(17)8-10)11-5-3-4-6-14(11)21-2/h3-9,18H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3OC)OC=1C=C(OC)C=C2O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
255.71
Topological Polar Surface Area
68.90
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
4.08
Molar Refractivity
82.80
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Updated at
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