Structure Database (LMSD)

Common Name
Quercetin 3,5,7,3'-tetramethyl ether
Systematic Name
3,5,7,3'-Tetramethoxy-4'-hydroxyflavone
Synonyms
LM ID
LMPK12112755
Formula
C19H18O7
Exact Mass
Calculate m/z
358.105255
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)
KOCIOXYNAFGQMZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-22-11-8-14(24-3)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-12(20)13(7-10)23-2/h5-9,20H,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL5FDDNS0004
PubChem CID
13942543

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 307.89
Topological Polar Surface Area 87.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.10
Molar Refractivity 95.90

Admin

Created at
-
Updated at
-