Structure Database (LMSD)

Systematic Name
7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Synonyms
LM ID
LMPK12111396
Formula
C24H24O7
Exact Mass
Calculate m/z
424.152205
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)
XHVZTOPSHYLRFK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H24O7/c1-24(2)10-9-14-20(31-24)19-15(25)12-17(30-22(19)23(29-6)21(14)28-5)13-7-8-16(26-3)18(11-13)27-4/h7-12H,1-6H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(OC)C(OC)=CC=3)=CC(=O)C=2C2OC(C)(C)C=CC1=2

Other Databases

CHEBI ID
187804
METABOLOMICS ID
FL3FFCNP0001
PubChem CID
44258614

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 379.39
Topological Polar Surface Area 78.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 5.86
Molar Refractivity 118.49

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Updated at
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