Structure Database (LMSD)

O O O O O
Systematic Name
2',3',4',6'-Tetramethoxychalcone
Synonyms
LM ID
LMPK12120341
Formula
C19H20O5
Exact Mass
Calculate m/z
328.131075
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)
FFFNVXJUSGYQSV-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C19H20O5/c1-21-15-12-16(22-2)18(23-3)19(24-4)17(15)14(20)11-10-13-8-6-5-7-9-13/h5-12H,1-4H3/b11-10+
SMILES (Click to copy)
C1(OC)=C(OC)C(OC)=C(C(=O)/C=C/C2C=CC=CC=2)C(OC)=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CE9NS0006
PubChem CID
5379047

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 313.57
Topological Polar Surface Area 53.99
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.62
Molar Refractivity 92.46

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Updated at
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