Structure Database (LMSD)

Common Name
Papilioerythrinone
Systematic Name
3-Hydroxy-β,ε-carotene-4,3'-dione
Synonyms
  • Papirioerythrione
LM ID
LMPR01070936
Formula
Exact Mass
Calculate m/z
580.391645
Status
Active

Classification

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oriolus cruentus (#370835)
Carotenoids from the crimson and maroon plumages of Old World orioles (Oriolidae).,
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
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

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

PubChem CID
Carotenoid ID

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

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Created at
17th Nov 2021
Updated at
5th Jan 2022