TTB

4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID


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Chemical Component Summary

Name4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID
SynonymsTTNPB
Identifiers4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
FormulaC24 H28 O2
Molecular Weight348.478
TypeNON-POLYMER
Isomeric SMILESC/C(=C\c1ccc(cc1)C(=O)O)/c2ccc3c(c2)C(CCC3(C)C)(C)C
InChIInChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
InChIKeyFOIVPCKZDPCJJY-JQIJEIRASA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count56
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB02877 
NameArotinoid acid
Groups experimental
DescriptionArotinoid acid is a retinoic acid analog which acts as a selective RAR agonist.
Synonyms
  • (E)-4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl)benzoic acid
  • TTNPB
  • Arotinoic acid
  • Arotinoid acid
Categories
  • Acids, Carbocyclic
  • Alkenes
  • Benzene Derivatives
  • Biological Factors
  • Carotenoids
CAS number71441-28-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Retinoic acid receptor betaMTTSGHACPVPAVNGHMTHYPATPYPLLFPPVIGGLSLPPLHGLHGHPPP...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL275311
PubChem 5289501
ChEMBL CHEMBL275311
ChEBI CHEBI:75261