Structure Database (LMSD)

O OH OH O
Systematic Name
2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone
Synonyms
LM ID
LMPK12120493
Formula
C17H18O4
Exact Mass
Calculate m/z
286.12051
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)
BMBFYUFAFGLKJJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H18O4/c1-11-15(21-2)10-14(19)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3
SMILES (Click to copy)
C1C(CCC(=O)C2C(O)=C(C)C(OC)=CC=2O)=CC=CC=1

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0041168
CHEBI ID
174741
METABOLOMICS ID
FL1DA9NM0007
PubChem CID
9947802

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 272.82
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.23
Molar Refractivity 80.15

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Updated at
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