Structure Database (LMSD)

Systematic Name
5,7,4'-Trihydroxy-3,6,8,2',5'-pentamethoxyflavone
Synonyms
LM ID
LMPK12113382
Formula
C20H20O10
Exact Mass
Calculate m/z
420.10565
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)
XSIZSVOKMQLXNP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O10/c1-25-10-7-9(21)11(26-2)6-8(10)16-19(28-4)14(23)12-13(22)18(27-3)15(24)20(29-5)17(12)30-16/h6-7,21-22,24H,1-5H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C(OC)=CC(O)=C(OC)C=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FGLNS0009
PubChem CID
13942678

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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