Structure Database (LMSD)
Common Name
4'-O-Methyldiplacone
Systematic Name
Synonyms
3D model of 4'-O-Methyldiplacone
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)
FVUVHWPNLPHERN-LZYBPNLTSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-19(27)13-24-25(26(18)30)21(29)14-23(32-24)17-9-11-22(31-4)20(28)12-17/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(OC)=CC=3)CC(=O)C=2C(O)=C1C/C=C(\C)/CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
3
Aromatic Rings
2
Rotatable Bonds
7
Van der Waals Molecular Volume
428.46
Topological Polar Surface Area
98.29
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
5.75
Molar Refractivity
122.87
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Updated at
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