Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-8-prenylflavone
Synonyms
LM ID
LMPK12110166
Formula
C20H18O4
Exact Mass
Calculate m/z
322.12051
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
WVBTWALEDCJRKA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10-11,21-22H,9H2,1-2H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

KEGG ID
C11325
CHEBI ID
2305
METABOLOMICS ID
FL3FA9NI0001
PubChem CID
5281903

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 296.18
Topological Polar Surface Area 70.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.28
Molar Refractivity 94.49

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Updated at
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