Structure Database (LMSD)

OH HO O
Systematic Name
2',4'-Dihydroxydihydrochalcone
Synonyms
LM ID
LMPK12120442
Formula
C15H14O3
Exact Mass
Calculate m/z
242.094295
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
ZUKLXLKVCGZHAA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H14O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,16,18H,6,9H2
SMILES (Click to copy)
C1(O)C=CC(C(=O)CCC2C=CC=CC=2)=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
FL1D19NS0001
PubChem CID
586491

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 229.43
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.91
Molar Refractivity 68.87

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Updated at
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