Structure Database (LMSD)
Common Name
Loroxanthin ester
Systematic Name
(3R,3'R,6'R)-19-(trans-Dodec-2-enoyloxy)-b,e-carotene-3,3'-diol
Synonyms
- Loroxanthin dodecenoate
3D model of Loroxanthin ester
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
TXBAOQMCVDHBKR-MHQWOFPGSA-N
InChi (Click to copy)
InChI=1S/C52H76O4/c1-11-12-13-14-15-16-17-18-19-30-50(55)56-39-45(32-34-49-44(6)36-47(54)38-52(49,9)10)29-23-28-41(3)25-21-20-24-40(2)26-22-27-42(4)31-33-48-43(5)35-46(53)37-51(48,7)8/h19-35,46-48,53-54H,11-18,36-39H2,1-10H3/b21-20+,26-22+,28-23+,30-19+,33-31+,34-32+,40-24+,41-25+,42-27+,45-29-/t46-,47+,48-/m1/s1
SMILES (Click to copy)
C1(=C(C)C[C@H](O)CC1(C)C)/C=C/C(/COC(=O)/C=C/CCCCCCCCC)=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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Pyramimonas parkeae
(#36894)
Pyramimonadophyceae
(#2704063)
A Novel Carotenoid Ester, Loroxanthin Dodecenoate, from Pyramimonas parkeae (Prasinophyceae) and a Chlorarachniophycean Alga,
Plant Cell Physiol, 1992
Plant Cell Physiol, 1992
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
56
Rings
2
Aromatic Rings
0
Rotatable Bonds
22
Van der Waals Molecular Volume
884.28
Topological Polar Surface Area
66.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
14.48
Molar Refractivity
242.65
Admin
Created at
-
Updated at
19th Jan 2022