Structure Database (LMSD)
Common Name
Piprixanthin
Systematic Name
6-Hydroxy-ε,ε-carotene-3,3-dione
Synonyms
3D model of Piprixanthin
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)
VUXZBKJHYRYVJW-IMJKPWSQSA-N
InChi (Click to copy)
InChI=1S/C40H52O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-26,37,43H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+
SMILES (Click to copy)
C1C(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/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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
2
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
667.89
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
10.08
Molar Refractivity
184.00
Admin
Created at
17th Nov 2021
Updated at
10th Jan 2022