Structure Database (LMSD)

Systematic Name
6,8-Di-C-methylkaempferol 3,7-dimethyl ether
Synonyms
LM ID
LMPK12112686
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)
PCRPRSKMNFYFSI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-9-14(21)13-15(22)19(24-4)18(11-5-7-12(20)8-6-11)25-17(13)10(2)16(9)23-3/h5-8,20-21H,1-4H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1C

Other Databases

CHEBI ID
193371
METABOLOMICS ID
FL5FDANM0003
PubChem CID
14353450

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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