Structure Database (LMSD)

O HO OH O
Systematic Name
2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone
Synonyms
LM ID
LMPK12120215
Formula
C21H22O4
Exact Mass
Calculate m/z
338.15181
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)
GAIPTWIUKUYUNA-ZRDIBKRKSA-N
InChi (Click to copy)
InChI=1S/C21H22O4/c1-14(2)9-11-16-18(23)13-19(25-3)20(21(16)24)17(22)12-10-15-7-5-4-6-8-15/h4-10,12-13,23-24H,11H2,1-3H3/b12-10+
SMILES (Click to copy)
C1=CC=CC=C1/C=C/C(=O)C1C(O)=C(C/C=C(\C)/C)C(O)=CC=1OC

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CA9NI0003
PubChem CID
14188385

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 336.74
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.51
Molar Refractivity 99.27

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Updated at
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