Structure Database (LMSD)
Common Name
(3R,4R)-4-Hydroxyrubixanthin
Systematic Name
(3R,4R)-β,psi-Carotene-3,4-diol
Synonyms
3D model of (3R,4R)-4-Hydroxyrubixanthin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DQUASIRQTBWOEF-FCUJZEAXSA-N
InChi (Click to copy)
InChI=1S/C40H56O2/c1-30(2)17-13-20-33(5)23-15-25-34(6)24-14-21-31(3)18-11-12-19-32(4)22-16-26-35(7)27-28-37-36(8)39(42)38(41)29-40(37,9)10/h11-12,14-19,21-28,38-39,41-42H,13,20,29H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,31-18+,32-19+,33-23+,34-24+,35-26+/t38-,39-/m1/s1
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/C=C(\C)/CC/C=C(\C)/C)=C(C)[C@@H](O)[C@@H]1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Phaffia rhodozyma
(#264483)
Tremellomycetes
(#155616)
Characterization and singlet oxygen quenching activity of (3R)-3-hydroxy-4-ketotorulene and (3R)-3-hydroxy-4-keto-γ-carotene isolated from the yeast Xanthophyllomyces dendrorhrous.,
J Oleo Sci, 2012
J Oleo Sci, 2012
Pubmed ID:
22790171
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
1
Aromatic Rings
Rotatable Bonds
13
Van der Waals Molecular Volume
674.10
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
11.29
Molar Refractivity
187.29
Admin
Created at
17th Nov 2021
Updated at
25th Nov 2021