Structure Database (LMSD)
Common Name
Luteolin 3',4'-dimethyl ether 7-glucuronide
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Luteolin 3',4'-dimethyl ether 7-glucuronide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
AVEXXODEGXXFAT-KHYDEXNFSA-N
InChi (Click to copy)
InChI=1S/C23H22O12/c1-31-13-4-3-9(5-15(13)32-2)14-8-12(25)17-11(24)6-10(7-16(17)34-14)33-23-20(28)18(26)19(27)21(35-23)22(29)30/h3-8,18-21,23-24,26-28H,1-2H3,(H,29,30)/t18-,19-,20+,21-,23+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=CC2OC(C3C=C(OC)C(OC)=CC=3)=CC(=O)C=2C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
4
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
406.04
Topological Polar Surface Area
187.42
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
12
logP
2.79
Molar Refractivity
120.30
Admin
Created at
-
Updated at
21st Nov 2021