Structure Database (LMSD)

Systematic Name
4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
Synonyms
LM ID
LMPK12111587
Formula
C22H20O6
Exact Mass
Calculate m/z
380.12599
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)
LBQMBIWFYFFSFY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O6/c1-22(2)10-9-14-19-15(11-16(25-3)20(14)28-22)17(24)21(26-4)18(27-19)12-5-7-13(23)8-6-12/h5-11,23H,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=1C=C2OC

Other Databases

METABOLOMICS ID
FL5F2ANP0001
PubChem CID
44258693

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 336.00
Topological Polar Surface Area 80.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 5.55
Molar Refractivity 107.05

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Updated at
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