Structure Database (LMSD)
Common Name
2'4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin
Systematic Name
Synonyms
3D model of 2'4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin
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)
FAZILTFMKCGRKR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-6-25(4,5)16-9-15(17(26)10-19(16)28)21-12-20(29)23-22(31-21)11-18(27)14(24(23)30)8-7-13(2)3/h6-7,9-11,21,26-28,30H,1,8,12H2,2-5H3
SMILES (Click to copy)
C1(C/C=C(/C)\C)C(O)=CC2OC(C3C(O)=CC(O)=C(C(C)(C=C)C)C=3)CC(=O)C=2C=1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
3
Aromatic Rings
2
Rotatable Bonds
5
Van der Waals Molecular Volume
411.16
Topological Polar Surface Area
109.29
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
5.19
Molar Refractivity
118.22
Admin
Created at
-
Updated at
-