Structure Database (LMSD)

O O O OH
Systematic Name
2'-Hydroxy-6'-methoxy-4'-prenyloxydihydrochalcone
Synonyms
LM ID
LMPK12120485
Formula
C21H24O4
Exact Mass
Calculate m/z
340.16746
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)
ALFWEQDJMGZJNN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H24O4/c1-15(2)11-12-25-17-13-19(23)21(20(14-17)24-3)18(22)10-9-16-7-5-4-6-8-16/h4-8,11,13-14,23H,9-10,12H2,1-3H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)C=C(OC)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1

References

Taxonomy Information

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

Other Databases

CHEBI ID
179323
METABOLOMICS ID
FL1DA9NI0004
PubChem CID
42607679

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 339.38
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.85
Molar Refractivity 99.17

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Updated at
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