Structure Database (LMSD)
Common Name
Apo-12'-lycopenal
Systematic Name
12'-Apo-psi-caroten-12'-al
Synonyms
3D model of Apo-12'-lycopenal
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
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Identification and quantification of apo-lycopenals in fruits, vegetables, and human plasma.,
J Agric Food Chem, 2010
J Agric Food Chem, 2010
Pubmed ID:
20178389
Solanum lycopersicum
(#4081)
Magnoliopsida
(#3398)
Identification and quantification of apo-lycopenals in fruits, vegetables, and human plasma.,
J Agric Food Chem, 2010
J Agric Food Chem, 2010
Pubmed ID:
20178389
String Representations
InChiKey (Click to copy)
CTKROHWZDNWNMY-MSWJQUEKSA-N
InChi (Click to copy)
InChI=1S/C25H34O/c1-21(2)12-9-15-23(4)17-11-19-24(5)18-10-16-22(3)13-7-8-14-25(6)20-26/h7-8,10-14,16-20H,9,15H2,1-6H3/b8-7+,16-10+,19-11+,22-13+,23-17+,24-18+,25-14+
SMILES (Click to copy)
C(=C(/C)\CC/C=C(\C)/C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
426.09
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors
1
logP
7.39
Molar Refractivity
117.18
Admin
Created at
1st Apr 2025
Updated at
1st Apr 2025