Structure database (LMSD)

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LM IDLMPK12120264
Common NameNaringenin chalcone (W)
Systematic Nametrans-2',4,4',6'-Tetrahydroxychalcone
SynonymsIsosalipurpol; Chalconaringenin; (2E)- 3-(4-hydroxyphenyl)-1-(2,4,6-
trihydroxyphenyl)-2-Propen-1-one
Exact Mass
272.0685 (neutral)    Calculate m/z:
FormulaC15H12O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassChalcones and dihydrochalcones [PK1212]
PubChem CID5280960
METABOLOMICS IDFL1CAANS0001
HMDB IDHMDB0029631
InChIKeyYQHMWTPYORBCMF-ZZXKWVIFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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+
SMILESC1(O)=CC(O)=C(C(=O)/C=C/C2C=CC(O)=CC=2)C(O)=C1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings2Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
244.37Topological Polar
Surface Area
97.99Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP2.41Molar
Refractivity
72.91