Structure Database (LMSD)

Systematic Name
3,5,7-Trihydroxy-8-methoxy-4'-prenyloxyflavone
Synonyms
LM ID
LMPK12113143
Formula
C21H20O7
Exact Mass
Calculate m/z
384.120905
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)
UVWJXGWUCHJBLP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O7/c1-11(2)8-9-27-13-6-4-12(5-7-13)19-18(25)17(24)16-14(22)10-15(23)20(26-3)21(16)28-19/h4-8,10,22-23,25H,9H2,1-3H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=CC(OC/C=C(\C)/C)=CC=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FFANI0001
PubChem CID
44259959

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 339.85
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.12
Molar Refractivity 104.99

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Updated at
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