Structure Database (LMSD)

O O O O O O O
Systematic Name
2,3,4,2',4',6'-Hexamethoxychalcone
Synonyms
LM ID
LMPK12120287
Formula
C21H24O7
Exact Mass
Calculate m/z
388.152205
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)
LUGJWTLKPPWJAI-VQHVLOKHSA-N
InChi (Click to copy)
InChI=1S/C21H24O7/c1-23-14-11-17(25-3)19(18(12-14)26-4)15(22)9-7-13-8-10-16(24-2)21(28-6)20(13)27-5/h7-12H,1-6H3/b9-7+
SMILES (Click to copy)
C1(OC)C=C(OC)C(C(/C=C/C2C=CC(OC)=C(OC)C=2OC)=O)=C(OC)C=1

References

Taxonomy Information

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

Other Databases

CHEBI ID
185838
METABOLOMICS ID
FL1CALNS0004
PubChem CID
10862032

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 2
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 365.75
Topological Polar Surface Area 72.45
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 3.63
Molar Refractivity 105.56

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Updated at
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