Structure Database (LMSD)
Common Name
8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl-(1->2)-glucoside
Systematic Name
Synonyms
3D model of 8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl-(1->2)-glucoside
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)
LORXOTCKKVEWGS-VNXFZGFBSA-N
InChi (Click to copy)
InChI=1S/C30H34O18/c1-10(32)43-9-19-22(37)24(39)26(41)29(47-19)48-28-25(40)21(36)18(8-31)46-30(28)45-17-7-14(35)20-13(34)6-16(44-27(20)23(17)38)11-3-4-15(42-2)12(33)5-11/h3-7,18-19,21-22,24-26,28-31,33,35-41H,8-9H2,1-2H3/t18-,19-,21-,22-,24-,25+,26-,28-,29+,30-/m1/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](COC(=O)C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(O)C2OC(C3C=C(O)C(OC)=CC=3)=CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
48
Rings
5
Aromatic Rings
3
Rotatable Bonds
10
Van der Waals Molecular Volume
567.52
Topological Polar Surface Area
288.87
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
18
logP
2.49
Molar Refractivity
162.25
Admin
Created at
-
Updated at
4th Jan 2022