Structure Database (LMSD)

Systematic Name
2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone
Synonyms
LM ID
LMPK12120225
Status
Active
Exact Mass
Calculate m/z
298.12051
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
TZEQDSMFACWASC-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
SMILES (Click to copy)
C1(O)=C(C)C(OC)=C(C(=O)/C=C/C2C=CC=CC=2)C(O)=C1C

References

Taxonomy Information

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

Other Databases

HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 287.48
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.62
Molar Refractivity 85.60

Admin

Created at
-
Updated at
-