Structure Database (LMSD)
Common Name
Citroxanthin
Systematic Name
5,8-Epoxy-5,8-dihydro-β,β-carotene
Synonyms
- Mutatochrome
- Flavacin
3D model of Citroxanthin
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
String Representations
InChiKey (Click to copy)
GFPJSSAOISEBQL-FZKBJVJCSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-22,24-25,29,36H,15-16,23,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+
SMILES (Click to copy)
C12C(C)(C)CCCC1(C)OC(/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)C=2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
3
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
645.87
Topological Polar Surface Area
11.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
12.39
Molar Refractivity
181.94
Admin
Created at
-
Updated at
7th Feb 2024