Structure Database (LMSD)
Common Name
Violaxanthin
Systematic Name
(3S,5R,6S,3'S,5'R,6'S)-5,6:5',6'-Diepoxy-5,6,5',6'-tetrahydro-β,β-carotene-3,3'-diol
Synonyms
3D model of Violaxanthin
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
Viridiplantae
(#33090)
Some Studies on the Stereochemistry of Carotenoids,
Pure Appl Chem, 1976
Pure Appl Chem, 1976
String Representations
InChiKey (Click to copy)
SZCBXWMUOPQSOX-WVJDLNGLSA-N
InChi (Click to copy)
InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1
SMILES (Click to copy)
[C@]12(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]34C(C)(C)C[C@H](O)C[C@]3(O4)C)C(C)(C)C[C@H](O)C[C@]1(O2)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
4
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
662.52
Topological Polar Surface Area
65.52
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
10.69
Molar Refractivity
186.29
Admin
Created at
-
Updated at
2nd Apr 2025