Structure Database (LMSD)

Systematic Name
3,6-Dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
Synonyms
LM ID
LMPK12111585
Formula
C22H20O5
Exact Mass
Calculate m/z
364.131075
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)
HIMWSGBRGFKFJN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O5/c1-22(2)11-10-14-19-15(12-16(24-3)20(14)27-22)17(23)21(25-4)18(26-19)13-8-6-5-7-9-13/h5-12H,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC=CC=3)=C(OC)C(=O)C=1C=C2OC

Other Databases

METABOLOMICS ID
FL5F29NP0001
PubChem CID
14033984

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 327.21
Topological Polar Surface Area 59.97
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 5.85
Molar Refractivity 105.39

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