Structure Database (LMSD)
Common Name
Caloxanthin
Systematic Name
Synonyms
3D model of Caloxanthin
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
Synechococcus elongatus
(#32046)
Cyanophyceae
(#3028117)
Carotenoids of Anacystis nidulans, structures of caloxanthin and nostoxanthin,
Phytochemistry, 1976
Phytochemistry, 1976
String Representations
InChiKey (Click to copy)
PKHJWTKRKQNNJE-RJLXQHJHSA-N
InChi (Click to copy)
InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)27-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)26-37(42)38(43)40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-,38+/m1/s1
SMILES (Click to copy)
C1(=C(C)C[C@@H](O)[C@H](O)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/C1=C(C)C[C@@H](O)CC1(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
2
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
673.17
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
10.38
Molar Refractivity
187.10
Admin
Created at
-
Updated at
9th May 2022