Structure Database (LMSD)
Common Name
Preprasinoxanthin
Systematic Name
(3S,5R,6S,3'R,6'R)-5,6-Epoxy-3,3'-dihydroxy-5,6,7,8-tetrahydro-β,ε-caroten-8-one
Synonyms
3D model of Preprasinoxanthin
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)
UDHCTKONQXLHKV-YRZLMHPLSA-N
InChi (Click to copy)
InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)24-37(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)27-40-38(8,9)25-34(42)26-39(40,10)44-40/h11-23,33-35,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34-,35-,39+,40-/m0/s1
SMILES (Click to copy)
[C@]12(O[C@]1(C)C[C@@H](O)C[C@@]2(C)C)CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]1C(C)=C[C@H](O)C[C@@]1(C)C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Prasinococcus capsulatus
(#156131)
Palmophyllophyceae
(#2201463)
Additional carotenoid prototype representatives and a general chemosystematic evaluation of carotenoids in prasinophyceae (chlorophyta),
Phytochemistry, 1997
Phytochemistry, 1997
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
3
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
672.24
Topological Polar Surface Area
70.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
10.16
Molar Refractivity
186.15
Admin
Created at
-
Updated at
22nd Mar 2024