Structure Database (LMSD)

Systematic Name
4-Hydroxy-2',4'-dimethoxydihydrochalcone
Synonyms
LM ID
LMPK12120454
Formula
C17H18O4
Exact Mass
Calculate m/z
286.12051
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PGBXUNIUTBHZMK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H18O4/c1-20-14-8-9-15(17(11-14)21-2)16(19)10-5-12-3-6-13(18)7-4-12/h3-4,6-9,11,18H,5,10H2,1-2H3
SMILES (Click to copy)
C1(OC)C=C(OC)C(C(=O)CCC2C=CC(O)=CC=2)=CC=1

Other Databases

METABOLOMICS ID
FL1D1ANS0003
PubChem CID
15549893

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 272.82
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.22
Molar Refractivity 80.30

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