Structure Database (LMSD)
Systematic Name
5,7,2'-Trihydroxyflavone
Synonyms
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)
OFYPDAKTVZXXPC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O5/c16-8-5-11(18)15-12(19)7-13(20-14(15)6-8)9-3-1-2-4-10(9)17/h1-7,16-18H
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC=CC=3O)=CC(=O)C=2C(O)=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
20
Rings
3
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
221.11
Topological Polar Surface Area
90.90
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.48
Molar Refractivity
73.02
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Created at
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Updated at
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