Structure Database (LMSD)
Common Name
(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Systematic Name
Synonyms
3D model of (+)-6,8-Di-C-methylpinocembrin 5-methyl ether
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)
QKZDDOUPWXQRIK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-8,14,20H,9H2,1-3H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
277.76
Topological Polar Surface Area
57.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
3.72
Molar Refractivity
82.89
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Updated at
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