Structure Database (LMSD)
Common Name
Luteolin 4'-methyl ether 7-(4G-rhamnosylneohesperidoside)
Systematic Name
Synonyms
3D model of Luteolin 4'-methyl ether 7-(4G-rhamnosylneohesperidoside)
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)
WUEFSLPUHKZZOW-JRQFAJNLSA-N
InChi (Click to copy)
InChI=1S/C34H42O19/c1-11-23(39)25(41)27(43)32(47-11)52-30-21(10-35)51-34(31(29(30)45)53-33-28(44)26(42)24(40)12(2)48-33)49-14-7-16(37)22-17(38)9-19(50-20(22)8-14)13-4-5-18(46-3)15(36)6-13/h4-9,11-12,21,23-37,39-45H,10H2,1-3H3/t11-,12-,21+,23-,24-,25+,26+,27+,28+,29-,30+,31+,32-,33-,34+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(OC)=CC=3)=CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
6
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
635.79
Topological Polar Surface Area
303.33
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
19
logP
3.24
Molar Refractivity
182.92
Admin
Created at
-
Updated at
4th Nov 2021