Structure Database (LMSD)

Systematic Name
2-Hydroxy-3,4,6-trimethoxydihydrochalcone
Synonyms
LM ID
LMPK12120609
Formula
C18H20O5
Exact Mass
Calculate m/z
316.131075
Status
Active
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)
ADHYECILSBTSIG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H20O5/c1-21-15-11-16(22-2)18(23-3)17(20)13(15)9-10-14(19)12-7-5-4-6-8-12/h4-8,11,20H,9-10H2,1-3H3
SMILES (Click to copy)
C1C=CC(C(=O)CCC2C(O)=C(OC)C(OC)=CC=2OC)=CC=1

Other Databases

METABOLOMICS ID
FL1DRTNS0010
PubChem CID
42607736

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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