Structure Database (LMSD)
Common Name
Lycoxanthin
Systematic Name
psi,psi-Carotene-16-ol
Synonyms
- Lycopen-16-ol
3D model of Lycoxanthin
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)
IFTRFNLCKUZSNG-SFEKFZNLSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-16,18-20,22-29,31,41H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+,40-31+
SMILES (Click to copy)
C(/C)(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C)\C=C\C=C(/C)\CC/C=C(\C)/CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
675.03
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
12.20
Molar Refractivity
187.47
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Created at
-
Updated at
22nd Mar 2024