Structure Database (LMSD)

Systematic Name
5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
Synonyms
LM ID
LMPK12113371
Formula
C20H18O10
Exact Mass
Calculate m/z
418.09
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)
XCKSFSPZLWEYBW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O10/c1-24-10-6-8(5-9(21)15(10)25-2)14-17(26-3)12(22)11-13(23)18-20(29-7-28-18)19(27-4)16(11)30-14/h5-6,21,23H,7H2,1-4H3
SMILES (Click to copy)
C12OCOC1=C(O)C1C(=O)C(OC)=C(C3C=C(O)C(OC)=C(OC)C=3)OC=1C=2OC

Other Databases

METABOLOMICS ID
FL5FGGNS0015
PubChem CID
44260078

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 339.20
Topological Polar Surface Area 130.19
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 10
logP 3.53
Molar Refractivity 103.69

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Updated at
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