Structure Database (LMSD)
Common Name
Maximaisoflavone J
Systematic Name
7-Prenyloxy-4'-methoxyisoflavone
Synonyms
3D model of Maximaisoflavone J
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)
XZMVXCSKRYOMID-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O4/c1-14(2)10-11-24-17-8-9-18-20(12-17)25-13-19(21(18)22)15-4-6-16(23-3)7-5-15/h4-10,12-13H,11H2,1-3H3
SMILES (Click to copy)
C1(OC/C=C(/C)\C)C=CC2C(=O)C(C3=CC=C(OC)C=C3)=COC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
313.48
Topological Polar Surface Area
48.67
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
logP
6.00
Molar Refractivity
100.00
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Updated at
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