Structure Database (LMSD)
Common Name
Canthaxanthin
Systematic Name
β,β-Carotene-4,4'-dione
Synonyms
- Aphanicin
- Chlorellaxanthin
3D model of Canthaxanthin
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)
FDSDTBUPSURDBL-DKLMTRRASA-N
InChi (Click to copy)
InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
SMILES (Click to copy)
C1(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)C(CCC2(C)C)=O)=C(C)C(CCC1(C)C)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Aphanizomenon flos-aquae
(#1176)
Cyanophyceae
(#3028117)
The carotenoids of blue-green algae—II. : The carotenoids of Aphanizomenon flos-aquae,
Phytochemistry, 1966
Phytochemistry, 1966
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Carotenoid ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
2
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
659.10
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
10.96
Molar Refractivity
182.17
Admin
Created at
-
Updated at
7th Feb 2024