Structure Database (LMSD)

Systematic Name
3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone
Synonyms
LM ID
LMPK12120564
Formula
Exact Mass
Calculate m/z
332.12599
Status
Active

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
SUSGJBHGRXXLLU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H20O6/c1-22-16-13(12(19)10-9-11-7-5-4-6-8-11)17(23-2)15(21)18(24-3)14(16)20/h4-8,20-21H,9-10H2,1-3H3
SMILES (Click to copy)
C1(OC)C(O)=C(OC)C(C(=O)CCC2C=CC=CC=2)=C(OC)C=1O

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 307.70
Topological Polar Surface Area 85.22
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.94
Molar Refractivity 88.52

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Updated at
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