Structure Database (LMSD)
Common Name
Nor-peridinin1
Systematic Name
(3S,5R,6S,8R,3'S,5'R,6'R)-5,8-Epoxy-3'-ethanoyloxy-3,5'-dihydroxy-5,6,5',6'-tetrahydro-6',7'-didehydro-12',13',20'-trinor-β,β-caroten-19,11-olide
Synonyms
3D model of Nor-peridinin1
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)
KQQRQKINDGGYIE-LVNJCZOPSA-N
InChi (Click to copy)
InChI=1S/C39H50O7/c1-25(16-17-33-37(6,7)23-30(44-27(3)40)24-38(33,8)43)14-12-10-11-13-15-26(2)18-29-19-31(35(42)45-29)32-20-34-36(4,5)21-28(41)22-39(34,9)46-32/h10-16,18-20,28,30,32,41,43H,21-24H2,1-9H3/b12-10+,13-11+,25-14+,26-15+,29-18-/t17-,28-,30-,32+,38+,39+/m0/s1
SMILES (Click to copy)
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Symbiodinium sp.
(#2950)
Dinophyceae
(#2864)
Isolation and characterization of dinochrome A and B, anti-carcinogenic active carotenoids from the fresh Water red tide Peridinium bipes.,
Chem Pharm Bull (Tokyo), 2002
Chem Pharm Bull (Tokyo), 2002
Pubmed ID:
12499607
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
46
Rings
4
Aromatic Rings
Rotatable Bonds
8
Van der Waals Molecular Volume
666.31
Topological Polar Surface Area
106.43
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
8.64
Molar Refractivity
181.78
Admin
Created at
17th Nov 2021
Updated at
18th Dec 2021