Structure Database (LMSD)
Common Name
Rhodoxanthin
Systematic Name
4',5'-Didehydro-4,5'-retro-ε,ε-carotene-3,3'-dione
Synonyms
3D model of Rhodoxanthin
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
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 Phsiol B, 2007
Comp Biochem Phsiol B, 2007
Epicoccum nigrum
(#105696)
Dothideomycetes
(#147541)
Lipids produced by Epicoccum nigrum in submerged culture.,
Biochem J, 1968
Biochem J, 1968
Pubmed ID:
5753092
String Representations
InChiKey (Click to copy)
VWXMLZQUDPCJPL-ZDHAIZATSA-N
InChi (Click to copy)
InChI=1S/C40H50O2/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/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-
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)=CC(=O)CC/2(C)C)\C(C)=CC(=O)CC\1(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
2
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
656.46
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
10.74
Molar Refractivity
182.08
Admin
Created at
-
Updated at
3rd Apr 2025