Structure Database (LMSD)
Common Name
Rubixanthin
Systematic Name
(3R)-β,psi-Caroten-3-ol
Synonyms
3D model of Rubixanthin
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)
ABTRFGSPYXCGMR-AXXBKCDFSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1
SMILES (Click to copy)
C1(/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[C@@H](O)CC1(C)C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rosa canina
(#74635)
Magnoliopsida
(#3398)
Carotenoid composition of Rosa canina fruits determined by thin-layer chromatography and high-performance liquid chromatography.,
J Pharm Biomed Anal, 1997
J Pharm Biomed Anal, 1997
Pubmed ID:
9589412
Erythrobacter longus
(#1044)
Alphaproteobacteria
(#28211)
Carotenoids from the aerobic photosynthetic bacterium, Erythrobacter longus: β-Carotene and its hydroxyl derivatives",
Arch Microbiol, 1990
Arch Microbiol, 1990
DOI:
10.1007/BF00247807
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Carotenoid ID
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
665.31
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
12.03
Molar Refractivity
185.38
Admin
Created at
-
Updated at
22nd Mar 2024