Structure Database (LMSD)

Systematic Name
5-Hydroxy-7,2',6'-trimethoxyflavone
Synonyms
LM ID
LMPK12110136
Formula
C18H16O6
Exact Mass
Calculate m/z
328.09469
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)
SYNMHBLAWSMSHJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-21-10-7-11(19)17-12(20)9-16(24-15(17)8-10)18-13(22-2)5-4-6-14(18)23-3/h4-9,19H,1-3H3
SMILES (Click to copy)
C12C(=O)C=C(C3C(OC)=CC=CC=3OC)OC=1C=C(OC)C=C2O

Other Databases

METABOLOMICS ID
FL3FA8NS0012
PubChem CID
5318369

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 281.80
Topological Polar Surface Area 78.13
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.09
Molar Refractivity 89.35

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