Structure Database (LMSD)
Common Name
Lycopene 1,2-epoxide
Systematic Name
(2S)-1,2-Epoxy-1,2-dihydro-psi,psi-carotene
Synonyms
3D model of Lycopene 1,2-epoxide
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)
GTXHICADEVOUIY-NHNQDMECSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14-20,22-29,39H,13,21,30-31H2,1-10H3/b12-11+,22-14+,23-15+,27-16+,28-17+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+/t39-/m0/s1
SMILES (Click to copy)
C(=C(/C)\CC[C@@H]1OC1(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)/CC/C=C(\C)/C
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Solanum lycopersicum
(#4081)
Magnoliopsida
(#3398)
Proposed Mechanisms for the Formation of Synthetic and Naturally Occurring Metabolites of Lycopene in Tomato Products and Human Serum,
J. Agric. Food Chem, 1998
J. Agric. Food Chem, 1998
DOI:
10.1021/jf9803233
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
1
Aromatic Rings
Rotatable Bonds
16
Van der Waals Molecular Volume
665.31
Topological Polar Surface Area
12.53
Hydrogen Bond Donors
Hydrogen Bond Acceptors
1
logP
12.72
Molar Refractivity
186.12
Admin
Created at
17th Nov 2021
Updated at
23rd Nov 2021