Structure Database (LMSD)
Common Name
Lonchocarpol E
Systematic Name
Synonyms
3D model of Lonchocarpol E
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)
MLJXXOUQWDXXEA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O7/c1-24(2,28)18-9-14-21(31-18)15-10-19(25(3,4)29)32-23(15)20-16(27)11-17(30-22(14)20)12-5-7-13(26)8-6-12/h5-8,17-19,26,28-29H,9-11H2,1-4H3
SMILES (Click to copy)
C12CC(C(O)(C)C)OC=1C1C(=O)CC(C3C=CC(O)=CC=3)OC=1C1CC(C(O)(C)C)OC=12
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
5
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
400.51
Topological Polar Surface Area
111.66
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
4.39
Molar Refractivity
117.75
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Updated at
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