Structure Database (LMSD)

Systematic Name
4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone
Synonyms
LM ID
LMPK12120608
Formula
C17H18O5
Exact Mass
Calculate m/z
302.115425
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)
WRSUVSOOJHAIRI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H18O5/c1-21-16-9-13(19)10-17(22-2)14(16)7-8-15(20)11-3-5-12(18)6-4-11/h3-6,9-10,18-19H,7-8H2,1-2H3
SMILES (Click to copy)
C1(O)C=CC(C(=O)CCC2C(OC)=CC(O)=CC=2OC)=CC=1

Other Databases

METABOLOMICS ID
FL1DRTNS0009
PubChem CID
10424988

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 281.61
Topological Polar Surface Area 75.99
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.93
Molar Refractivity 81.97

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Updated at
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