Structure Database (LMSD)

Systematic Name
5,4'-Dihidroxy-7,8,2',3'-tetramethoxyflavone
Synonyms
LM ID
LMPK12111419
Formula
C19H18O8
Exact Mass
Calculate m/z
374.10017
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
XJMLRDUBVCDIKJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-23-14-8-12(22)15-11(21)7-13(27-19(15)18(14)26-4)9-5-6-10(20)17(25-3)16(9)24-2/h5-8,20,22H,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C(OC)=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FFLNS0002
PubChem CID
13963777

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 316.68
Topological Polar Surface Area 107.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.81
Molar Refractivity 97.57

Admin

Created at
-
Updated at
-