Structure Database (LMSD)
Systematic Name
5,4'-Dihydroxy-7-O-prenylflavanone
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)
HXGGEGJYNMWHAD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-12(2)7-8-24-15-9-16(22)20-17(23)11-18(25-19(20)10-15)13-3-5-14(21)6-4-13/h3-7,9-10,18,21-22H,8,11H2,1-2H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=CC2OC(C3C=CC(O)=CC=3)CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
318.51
Topological Polar Surface Area
78.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
4.43
Molar Refractivity
93.95
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Updated at
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