Structure Database (LMSD)

Systematic Name
5-Hydroxy-7,2',5'-trimethoxyflavone
Synonyms
LM ID
LMPK12110132
Formula
C18H16O6
Exact Mass
Calculate m/z
328.09469
Status
Curated
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)
NDJRQOXSFHAYMY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-21-10-4-5-15(23-3)12(6-10)16-9-14(20)18-13(19)7-11(22-2)8-17(18)24-16/h4-9,19H,1-3H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=C(OC)C=CC=3OC)OC=1C=C(OC)C=C2O

Other Databases

CHEBI ID
193397
METABOLOMICS ID
FL3FA8NS0008
PubChem CID
10914422

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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Updated at
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