Structure Database (LMSD)

Systematic Name
5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone
Synonyms
LM ID
LMPK12113362
Formula
C20H20O10
Exact Mass
Calculate m/z
420.10565
Status
Active
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)
DOUSAHOSFHEMPA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O10/c1-25-9-6-8(7-10(26-2)12(9)21)16-19(28-4)14(23)11-13(22)18(27-3)15(24)20(29-5)17(11)30-16/h6-7,21-22,24H,1-5H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(OC)C(O)=C(OC)C=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FGGNS0006
PubChem CID
21676159

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 351.56
Topological Polar Surface Area 137.05
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
logP 3.52
Molar Refractivity 105.78

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Updated at
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