Structure Database (LMSD)
Common Name
Emoroidenone
Systematic Name
5-Methoxy-5''-[2'',3'':7,8]-isopropenyldihydrofuranoflavanone
Synonyms
3D model of Emoroidenone
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)
ILWIXDUFMCFWAS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O4/c1-12(2)16-9-14-18(24-16)11-19(23-3)20-15(22)10-17(25-21(14)20)13-7-5-4-6-8-13/h4-8,11,16-17H,1,9-10H2,2-3H3
SMILES (Click to copy)
C12OC(C(C)=C)CC1=C1OC(C3C=CC=CC=3)CC(=O)C1=C(OC)C=2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
314.66
Topological Polar Surface Area
48.90
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
logP
4.57
Molar Refractivity
95.20
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Updated at
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