Structure Database (LMSD)

O O OH O
Common Name
4'-O-Methylbavachalcone
Systematic Name
Synonyms
LM ID
LMPK12120047
Formula
C22H24O4
Exact Mass
Calculate m/z
352.16746
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)
GCEGUTHXMYHGKF-XYOKQWHBSA-N
InChi (Click to copy)
InChI=1S/C22H24O4/c1-15(2)5-9-17-13-19(21(24)14-22(17)26-4)20(23)12-8-16-6-10-18(25-3)11-7-16/h5-8,10-14,24H,9H2,1-4H3/b12-8+
SMILES (Click to copy)
C1=CC(OC)=CC=C1/C=C/C(=O)C1C(O)=CC(OC)=C(C/C=C(\C)/C)C=1

References

Taxonomy Information

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

Other Databases

CHEBI ID
85123
METABOLOMICS ID
FL1C1ANI0010
PubChem CID
42607530

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 354.04
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.81
Molar Refractivity 104.15

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Updated at
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