Structure Database (LMSD)

O O HO
Common Name
Piprixanthin
Systematic Name
6-Hydroxy-ε,ε-carotene-3,3-dione
Synonyms
LM ID
LMPR01070980
Formula
C40H52O3
Exact Mass
Calculate m/z
580.391645
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

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
Pubmed ID: 17400013

Other Databases

PubChem CID
171120990
Carotenoid ID
CA01208

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