Structure Database (LMSD)
Common Name
(-)-Isolonchocarpin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of (-)-Isolonchocarpin
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)
GJRSGESHUAFWMY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC=CC=3)CC(=O)C=1C=C2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
4
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
288.57
Topological Polar Surface Area
39.67
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
4.86
Molar Refractivity
89.45
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Created at
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Updated at
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