Structure Database (LMSD)
Common Name
Loroxanthin
Systematic Name
(3R,3'R,6'R)-β,ε-Carotene-3,19,3'-triol
Synonyms
- 19-Hydroxylutein
3D model of Loroxanthin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Chlorella vulgaris
(#3077)
Trebouxiophyceae
(#75966)
Absolute Konfiguration von Loroxanthin (=(3R, 3′R, 6′R)-β, ϵ-Carotin-3, 19, 3′-triol),
Helv Chim Acta, 1983
Helv Chim Acta, 1983
Cladophorales
(#3183)
Ulvophyceae
(#33103)
CAROTENOID COMPOSITIONS OF CLADOPHORA BALLS (AEGAGROPILA LINNAEI) AND SOME MEMBERS OF THE CLADOPHORALES (ULVOPHYCEAE, CHLOROPHYTA): THEIR TAXONOMIC AND EVOLUTIONARY IMPLICATION,
J Phycol, 2004
J Phycol, 2004
String Representations
InChiKey (Click to copy)
ODGGKCNQKSEQNL-CWBMHJDKSA-N
InChi (Click to copy)
InChI=1S/C40H56O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-24,35-37,41-43H,25-28H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,23-21+,29-14+,30-15+,31-17+,34-19-/t35-,36+,37-/m0/s1
SMILES (Click to copy)
C1(=C(C)C[C@@H](O)CC1(C)C)/C=C/C(/CO)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
2
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
673.17
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
10.23
Molar Refractivity
187.03
Admin
Created at
-
Updated at
18th Jan 2022