Structure Database (LMSD)
Systematic Name
5-Hydroxy-7-prenyloxy-8-C-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)
LEZGVNCLKUBJJE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-16(2)10-11-19-23(28-13-12-17(3)4)15-21(27)24-20(26)14-22(29-25(19)24)18-8-6-5-7-9-18/h5-10,12,15,22,27H,11,13-14H2,1-4H3
SMILES (Click to copy)
C1(OC/C=C(/C)\C)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
3
Aromatic Rings
2
Rotatable Bonds
6
Van der Waals Molecular Volume
393.58
Topological Polar Surface Area
57.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
6.24
Molar Refractivity
115.42
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Updated at
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