Structure Database (LMSD)

Systematic Name
4,2',6'-Trihydroxy-4'-methoxy-3',5'-dimethyldihydrochalcone
Synonyms
LM ID
LMPK12120544
Formula
C18H20O5
Exact Mass
Calculate m/z
316.131075
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GFHICTQGQGHRRY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H20O5/c1-10-16(21)15(17(22)11(2)18(10)23-3)14(20)9-6-12-4-7-13(19)8-5-12/h4-5,7-8,19,21-22H,6,9H2,1-3H3
SMILES (Click to copy)
C1(OC)C(C)=C(O)C(C(=O)CCC2C=CC(O)=CC=2)=C(O)C=1C

Other Databases

CHEBI ID
187853
METABOLOMICS ID
FL1DCANM0002
PubChem CID
42607707

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 298.91
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.24
Molar Refractivity 86.56

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Updated at
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