Structure Database (LMSD)

Common Name
Sinensetin
Systematic Name
5,6,7,3',4'-Pentamethoxyflavone
Synonyms
  • Pedalitin permethyl ether
LM ID
LMPK12111250
Formula
C20H20O7
Exact Mass
Calculate m/z
372.120905
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)
LKMNXYDUQXAUCZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=C(OC)C=3)=CC(=O)C=2C(OC)=C1OC

Other Databases

KEGG ID
C10186
HMDB ID
HMDB0036633
CHEBI ID
9159
METABOLOMICS ID
FL3FECNS0024
PubChem CID
145659
Cayman ID
19751

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 325.19
Topological Polar Surface Area 76.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 4.40
Molar Refractivity 100.79

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Updated at
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