Structure Database (LMSD)
Common Name
Peridinin
Systematic Name
Synonyms
3D model of Peridinin
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)
UYRDHEJRPVSJFM-VSWVFQEASA-N
InChi (Click to copy)
InChI=1S/C39H50O7/c1-26(16-17-33-35(4,5)24-32(44-28(3)40)25-37(33,8)43)14-12-10-11-13-15-27(2)20-31-21-29(34(42)45-31)18-19-39-36(6,7)22-30(41)23-38(39,9)46-39/h10-16,18-21,30,32,41,43H,22-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t17?,30-,32-,37+,38+,39-/m0/s1
SMILES (Click to copy)
C1([C@@](O)(C)C[C@@H](OC(C)=O)CC1(C)C)=C=C/C(/C)=C/C=C/C=C/C=C(\C)/C=C1\OC(=O)C(C=C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)=C\1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Dinophyceae
(#2864)
Structure of peridinin, the characteristics dinoflagellate carotenoid,
J Am Chem Soc, 1971
J Am Chem Soc, 1971
DOI:
10.1021/ja00736a065
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
46
Rings
4
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
666.31
Topological Polar Surface Area
107.66
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
8.64
Molar Refractivity
181.78
Admin
Created at
-
Updated at
2nd Oct 2021