Structure Database (LMSD)
Common Name
20,14-retro-retinoic acid
Systematic Name
Synonyms
3D model of 20,14-retro-retinoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
MOVUUAMFNFXGHB-CISKFWAASA-N
InChi (Click to copy)
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12H,2,7,10,13-14H2,1,3-5H3,(H,21,22)/b9-6+,12-11+,15-8+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C)CC(O)=O)/C)=C(C)CC1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Base-catalyzed isomerization of retinoic acid. Synthesis and differentiation-inducing activities of 14-alkylated all-trans-, 13-cis-, and 20,14-retro-retinoic acids.,
J Med Chem, 1992
J Med Chem, 1992
Pubmed ID:
1738149
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
1
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
343.94
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.60
Molar Refractivity
93.76
Admin
Created at
-
Updated at
2nd Jul 2021