Structure Database (LMSD)
Common Name
Prasinoxanthin
Systematic Name
(3S,6R,3'R,6'R)-3,6,3'-Trihydroxy-7,8-dihydro-γ,ε-caroten-8-one
Synonyms
3D model of Prasinoxanthin
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
Prasinococcus capsulatus
(#156131)
Palmophyllophyceae
(#2201463)
Additional carotenoid prototype representatives and a general chemosystematic evaluation of carotenoids in prasinophyceae (chlorophyta),
Phytochemistry, 1997
Phytochemistry, 1997
String Representations
InChiKey (Click to copy)
WOJYJHBMWRNRJG-DTJZQRCSSA-N
InChi (Click to copy)
InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-23,34-36,41-42,44H,6,24-27H2,1-5,7-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t34-,35+,36-,40-/m0/s1
SMILES (Click to copy)
[C@]1(CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(C)=C[C@H](O)C[C@@]2(C)C)(O)[C@](C)(C)C[C@H](O)CC1=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
2
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
681.96
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
9.64
Molar Refractivity
187.51
Admin
Created at
-
Updated at
2nd Apr 2025