Structure Database (LMSD)
Common Name
Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside
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)
UAGBVLJNVRPERW-VHTXGNIDSA-N
InChi (Click to copy)
InChI=1S/C35H40O23/c36-8-20-25(45)26(46)27(47)32(55-20)57-29-21(9-51-23(44)7-22(42)43)56-33(30(28(29)48)58-34-31(49)35(50,10-37)11-52-34)53-13-4-16(40)24-17(41)6-18(54-19(24)5-13)12-1-2-14(38)15(39)3-12/h1-6,20-21,25-34,36-40,45-50H,7-11H2,(H,42,43)/t20-,21-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35-/m1/s1
SMILES (Click to copy)
C1(O)C=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@](CO)(O)CO3)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](COC(CC(=O)O)=O)O2)C=C2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=12
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
58
Rings
6
Aromatic Rings
3
Rotatable Bonds
14
Van der Waals Molecular Volume
682.97
Topological Polar Surface Area
377.93
Hydrogen Bond Donors
12
Hydrogen Bond Acceptors
23
logP
1.83
Molar Refractivity
191.44
Admin
Created at
-
Updated at
4th Jan 2022