Structure Database (LMSD)
Common Name
Sophoraflavanone C
Systematic Name
Synonyms
3D model of Sophoraflavanone C
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)
QTEIROMZFSIGNG-VIZOYTHASA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-18-20(28)12-21(29)24-22(30)13-23(31-25(18)24)17-10-8-16(26)11-19(17)27/h5,7-8,10-12,23,26-29H,4,6,9,13H2,1-3H3/b15-7+
SMILES (Click to copy)
C1C(O)=C(C/C=C(\C)/CC/C=C(\C)/C)C2OC(C3C(O)=CC(O)=CC=3)CC(=O)C=2C=1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
3
Aromatic Rings
2
Rotatable Bonds
6
Van der Waals Molecular Volume
411.16
Topological Polar Surface Area
109.29
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
5.45
Molar Refractivity
117.99
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