Structure Database (LMSD)
Common Name
Arthroxanthin
Systematic Name
2,2'-Bis-(2-ethylidene-propane-1,3-diol)-β,β-carotene
Synonyms
3D model of Arthroxanthin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Arthrobacter antioxidans
(#2895818)
Actinomycetes
(#1760)
Purification, Identification, and Properties of a Novel Carotenoid Produced by Arthrobacter sp. QL17 Isolated from Mount Qomolangma.,
Antioxidants (Basel), 2022
Antioxidants (Basel), 2022
Pubmed ID:
36009212
String Representations
InChiKey (Click to copy)
FJPNJAKSKVIFBL-MOOVSBSOSA-N
InChi (Click to copy)
InChI=1S/C50H72O4/c1-37(17-13-19-39(3)21-31-47-41(5)23-27-45(49(47,7)8)29-25-43(33-51)34-52)15-11-12-16-38(2)18-14-20-40(4)22-32-48-42(6)24-28-46(50(48,9)10)30-26-44(35-53)36-54/h11-22,25-26,31-32,45-46,51-54H,23-24,27-30,33-36H2,1-10H3/b12-11+,17-13+,18-14+,31-21+,32-22+,37-15+,38-16+,39-19+,40-20+
SMILES (Click to copy)
C1(C/C=C(\CO)/CO)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=C/C2=C(C)CCC(C/C=C(\CO)/CO)C2(C)C)=C(C)CC1
Calculated Physicochemical Properties
Heavy Atoms
54
Rings
2
Aromatic Rings
Rotatable Bonds
18
Van der Waals Molecular Volume
849.68
Topological Polar Surface Area
80.92
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
12.80
Molar Refractivity
234.84
Admin
Created at
1st Oct 2024
Updated at
1st Oct 2024