Structure Database (LMSD)
Systematic Name
3-Hydroxy-4'-methoxyflavone
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)
IIBBFGMVMNZMGA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O4/c1-19-11-8-6-10(7-9-11)16-15(18)14(17)12-4-2-3-5-13(12)20-16/h2-9,18H,1H3
SMILES (Click to copy)
C1=CC2OC(C3C=CC(OC)=CC=3)=C(O)C(=O)C=2C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
3
Aromatic Rings
3
Rotatable Bonds
2
Van der Waals Molecular Volume
229.62
Topological Polar Surface Area
59.67
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
4.07
Molar Refractivity
76.24
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Updated at
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