Structure Database (LMSD)
Common Name
Naringenin chalcone
Systematic Name
trans-2',4,4',6'-Tetrahydroxychalcone
Synonyms
- Isosalipurpol
- Chalconaringenin
- (2E)- 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-Propen-1-one
3D model of Naringenin chalcone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YQHMWTPYORBCMF-ZZXKWVIFSA-N
InChi (Click to copy)
InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
SMILES (Click to copy)
C1(O)=CC(O)=C(C(=O)/C=C/C2C=CC(O)=CC=2)C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
2
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
244.37
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
2.41
Molar Refractivity
72.91
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Updated at
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