Structure Database (LMSD)
Common Name
Ceratoxanthin
Systematic Name
5-Hydroxy-5,6-seco-β,β-caroten-6-one
Synonyms
3D model of Ceratoxanthin
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)
TUNCSYYNDGSMRA-JLTXGRSLSA-N
InChi (Click to copy)
InChI=1S/C40H58O2/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38(42)40(9,10)30-16-24-36(6)41/h11-14,17-22,25-28,36,41H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
SMILES (Click to copy)
CC(O)CCCC(C)(C)C(=O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ceratozamia fuscoviridis
(#1115353)
Cycadopsida
(#3296)
Quantitative variations of individual carotenoids in relationship with the leaflet development of six species of the genus Ceratozamia (Cycads).,
J Plant Physiol, 2006
J Plant Physiol, 2006
Pubmed ID:
16399003
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
1
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
676.74
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
11.51
Molar Refractivity
185.89
Admin
Created at
17th Nov 2021
Updated at
20th Dec 2021