Structure Database (LMSD)
Common Name
Phillipsiaxanthin
Systematic Name
1,1'-Dihydroxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-2,2'-dione
Synonyms
- 1,1'-(OH)2-2,2'-diketo-3,4,3',4'-tetradehydrolycopene
3D model of Phillipsiaxanthin
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
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Phillipsia
(#51151)
Pezizomycetes
(#147549)
[Chemotaxonomic research on fungi. Fungal carotenoids. IV. Carotenoids of Phillipsia carminea (Pat.) Le Gal; isolation and identification of a new natural xanthophyll].,
Bull Soc Chim Biol (Paris), 1967
Bull Soc Chim Biol (Paris), 1967
Pubmed ID:
6059790
Rubrivivax gelatinosus
(#28068)
Betaproteobacteria
(#28216)
Characterization of unusual hydroxy- and ketocarotenoids in Rubrivivax gelatinosus: involvement of enzyme CrtF or CrtA.,
Arch Microbiol, 2003
Arch Microbiol, 2003
Pubmed ID:
12664193
String Representations
InChiKey (Click to copy)
UERCYYLOKQAWFG-ZDXQBWOGSA-N
InChi (Click to copy)
InChI=1S/C40H52O4/c1-31(19-13-21-33(3)23-15-25-35(5)27-29-37(41)39(7,8)43)17-11-12-18-32(2)20-14-22-34(4)24-16-26-36(6)28-30-38(42)40(9,10)44/h11-30,43-44H,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,29-27+,30-28+,31-17+,32-18+,33-21+,34-22+,35-25+,36-26+
SMILES (Click to copy)
CC(C)(O)C(=O)/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=C/C=C(\C)/C=C/C(=O)C(C)(O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
696.12
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
9.81
Molar Refractivity
190.16
Admin
Created at
-
Updated at
9th May 2022