Structure Database (LMSD)
Common Name
Luteolin 3'-methyl ether 7-glucuronosyl-(1->2)-glucuronide
Systematic Name
Synonyms
3D model of Luteolin 3'-methyl ether 7-glucuronosyl-(1->2)-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)
MEUYKMSNZLTEBE-BBKSNKDASA-N
InChi (Click to copy)
InChI=1S/C28H28O18/c1-41-14-4-8(2-3-10(14)29)13-7-12(31)16-11(30)5-9(6-15(16)43-13)42-28-24(20(35)19(34)23(45-28)26(39)40)46-27-21(36)17(32)18(33)22(44-27)25(37)38/h2-7,17-24,27-30,32-36H,1H3,(H,37,38)(H,39,40)/t17-,18-,19-,20-,21+,22-,23-,24+,27-,28+/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(=O)O)O3)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=CC2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
46
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
530.28
Topological Polar Surface Area
296.71
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
18
logP
1.83
Molar Refractivity
151.16
Admin
Created at
-
Updated at
25th Nov 2021