Structure Database (LMSD)

OH OH HO O O
Common Name
5'-Prenyllicodione
Systematic Name
Synonyms
LM ID
LMPK12120376
Formula
C20H20O5
Exact Mass
Calculate m/z
340.131075
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)
VAWLLIOUAFRMHN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-12(2)3-4-14-9-16(20(25)11-18(14)23)19(24)10-17(22)13-5-7-15(21)8-6-13/h3,5-9,11,21,23,25H,4,10H2,1-2H3
SMILES (Click to copy)
C1(O)=CC(O)=C(C(=O)CC(=O)C2C=CC(O)=CC=2)C=C1C/C=C(/C)\C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CHYNI0002
PubChem CID
15742117

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 328.23
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.77
Molar Refractivity 94.29

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Updated at
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