Structure Database (LMSD)
Common Name
3,3'-Diketo-epsilon-carotene
Systematic Name
ε,ε-Carotene-3,3'-dione
Synonyms
3D model of 3,3'-Diketo-epsilon-carotene
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)
IMFOMPZKWQBDLQ-DKLMTRRASA-N
InChi (Click to copy)
InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,37-38H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(C)=CC(=O)CC2(C)C)C(C)=CC1=O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ilicura militaris
(#208056)
Aves
(#8782)
Plumage carotenoids of the Pin-tailed Manakin (Ilicura militaris): evidence for the endogenous production of rhodoxanthin from a colour variant.,
Comp Biochem Physiol B Biochem Mol Biol, 2007
Comp Biochem Physiol B Biochem Mol Biol, 2007
Pubmed ID:
17400013
Homo sapiens
(#9606)
Mammalia
(#40674)
Lutein, zeaxanthin, and meso-zeaxanthin: The basic and clinical science underlying carotenoid-based nutritional interventions against ocular disease.,
Prog Retin Eye Res, 2016
Prog Retin Eye Res, 2016
Pubmed ID:
26541886
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
2
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
659.10
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
10.68
Molar Refractivity
182.03
Admin
Created at
17th Nov 2021
Updated at
10th Jan 2022