Structure Database (LMSD)
Common Name
Luteolin 4'-methyl ether 7-glucuronide
Systematic Name
Synonyms
3D model of Luteolin 4'-methyl ether 7-glucuronide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
XCKMDTYMOHXUHG-SXFAUFNYSA-N
InChi (Click to copy)
InChI=1S/C22H20O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)/t17-,18-,19+,20-,22+/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(O)C(OC)=CC=3)=CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
4
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
388.74
Topological Polar Surface Area
198.42
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
12
logP
2.48
Molar Refractivity
115.41
Admin
Created at
-
Updated at
4th Nov 2021