Structure Database (LMSD)

O O O OH O
Systematic Name
2'-Hydroxy-3',4',6'-trimethoxydihydrochalcone
Synonyms
LM ID
LMPK12120558
Formula
C18H20O5
Exact Mass
Calculate m/z
316.131075
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)
NFGKDMWKUSDLNS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H20O5/c1-21-14-11-15(22-2)18(23-3)17(20)16(14)13(19)10-9-12-7-5-4-6-8-12/h4-8,11,20H,9-10H2,1-3H3
SMILES (Click to copy)
C1(OC)C(OC)=C(O)C(C(=O)CCC2C=CC=CC=2)=C(OC)C=1

References

Taxonomy Information

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

Other Databases

CHEBI ID
184635
METABOLOMICS ID
FL1DE9NS0004
PubChem CID
42607715

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 298.91
Topological Polar Surface Area 64.99
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.23
Molar Refractivity 86.86

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Updated at
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