Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-3-methoxy-4'-prenyloxyflavone
Synonyms
LM ID
LMPK12112681
Formula
C21H20O6
Exact Mass
Calculate m/z
368.12599
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)
GAHPANFILVQETL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O6/c1-12(2)8-9-26-15-6-4-13(5-7-15)20-21(25-3)19(24)18-16(23)10-14(22)11-17(18)27-20/h4-8,10-11,22-23H,9H2,1-3H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(OC/C=C(/C)\C)=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

CHEBI ID
197243
METABOLOMICS ID
FL5FDANI0001
PubChem CID
44259651

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 331.06
Topological Polar Surface Area 89.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.41
Molar Refractivity 103.33

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Updated at
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