Structure Database (LMSD)
Common Name
2'-Dehydroplectaniaxanthin
Systematic Name
1'-Hydroxy-3',4'-didehydro-1',2'-dihydro-β,psi-caroten-2'-one
Synonyms
3D model of 2'-Dehydroplectaniaxanthin
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
String Representations
InChiKey (Click to copy)
XSEQEJQPEDASKY-RCMIEKQSSA-N
InChi (Click to copy)
InChI=1S/C40H54O2/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38(41)40(9,10)42)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26-29,42H,16,25,30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,29-27+,31-17+,32-18+,33-21+,34-23+,35-24+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)(O)C)=C(C)CC1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
1
Aromatic Rings
Rotatable Bonds
13
Van der Waals Molecular Volume
671.46
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
11.21
Molar Refractivity
185.77
Admin
Created at
17th Nov 2021
Updated at
29th Nov 2021