Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone
Synonyms
LM ID
LMPK12110830
Formula
C19H18O6
Exact Mass
Calculate m/z
342.11034
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)
UIFRXEHXPRFGTF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-9-17(21)10(2)19-16(18(9)22)12(20)8-14(25-19)11-5-6-13(23-3)15(7-11)24-4/h5-8,21-22H,1-4H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=C(OC)C(OC)=CC=3)=CC(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL3FAFNM0001
PubChem CID
11002377

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 299.10
Topological Polar Surface Area 89.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 4.41
Molar Refractivity 93.94

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Updated at
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