Structure Database (LMSD)
Common Name
Papilioerythrinone
Systematic Name
3-Hydroxy-β,ε-carotene-4,3'-dione
Synonyms
- Papirioerythrione
3D model of Papilioerythrinone
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
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Oriolus cruentus
(#370835)
Aves
(#8782)
Carotenoids from the crimson and maroon plumages of Old World orioles (Oriolidae).,
Arch Biochem Biophys, 2013
Arch Biochem Biophys, 2013
Pubmed ID:
23851380
Papilio xuthus
(#66420)
Insecta
(#50557)
Papilioerythrinone: A New Ketocarotenoid in Integuments of Orange Pupae of a Swallowtail, Papilio xuthus, and Carapaces of a Crab, Paralithodes brevipes,
Agric Biol Chem, 1976
Agric Biol Chem, 1976
Paralithodes brevipes
(#174403)
Malacostraca
(#6681)
Papilioerythrinone: A New Ketocarotenoid in Integuments of Orange Pupae of a Swallowtail, Papilio xuthus, and Carapaces of a Crab, Paralithodes brevipes,
Agric Biol Chem, 1976
Agric Biol Chem, 1976
String Representations
InChiKey (Click to copy)
LIMWSSBYWJHLNB-ROKXECAJSA-N
InChi (Click to copy)
InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,35,37,42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+
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)C(=O)C1O
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
5th Jan 2022