Structure Database (LMSD)

Systematic Name
2',5'-Dihydroxy-4-methoxychalcone
Synonyms
LM ID
LMPK12120194
Status
Active
Exact Mass
Calculate m/z
270.08921
Formula
C16H14O4
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
FUQGIYDZGLORRC-XBXARRHUSA-N
InChi (Click to copy)
InChI=1S/C16H14O4/c1-20-13-6-2-11(3-7-13)4-8-15(18)14-10-12(17)5-9-16(14)19/h2-10,17,19H,1H3/b8-4+
SMILES (Click to copy)
C1=C(O)C=C(C(=O)/C=C/C2C=CC(OC)=CC=2)C(O)=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1C9ANS0002
PubChem CID
5355888

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 252.88
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.00
Molar Refractivity 76.13

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Updated at
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