CHEBI:64210 - 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid ChEBI ID CHEBI:64210 Definition An amidobenzoic acid obtained by formal condensation of the carboxy group of (5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid with the anilino group of 4-aminobenzoic acid. A selective RARα agonist. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H25NO3 Net Charge 0 Average Mass 351.43880 Monoisotopic Mass 351.18344 InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26) InChIKey SZWKGOZKRMMLAJ-UHFFFAOYSA-N SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): retinoic acid receptor alpha/beta agonist Any retinoic acid receptor (RAR) agonist with specificity for RARalpha and RARbeta. Application(s): retinoic acid receptor alpha/beta agonist Any retinoic acid receptor (RAR) agonist with specificity for RARalpha and RARbeta. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid (CHEBI:64210) has role antineoplastic agent (CHEBI:35610) 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid (CHEBI:64210) has role retinoic acid receptor α/β agonist (CHEBI:50741) 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid (CHEBI:64210) is a amidobenzoic acid (CHEBI:48470) 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid (CHEBI:64210) is a tetralins (CHEBI:36786) IUPAC Name 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid Synonyms Sources Am 580 ChemIDplus AM-580 ChemIDplus AM580 ChEBI CD 336 ChemIDplus CD-336 ChemIDplus Manual Xrefs Databases 3KMR PDB C15619 KEGG COMPOUND LSM-2132 LINCS View more database links Registry Numbers Types Sources 102121-60-8 CAS Registry Number KEGG COMPOUND 102121-60-8 CAS Registry Number ChemIDplus 3565084 Reaxys Registry Number Reaxys 3565084 Beilstein Registry Number ChemIDplus Citations Types Sources 18271925 PubMed citation Europe PMC 18416830 PubMed citation Europe PMC 19700416 PubMed citation Europe PMC 19790202 PubMed citation Europe PMC 20147703 PubMed citation Europe PMC 20453882 PubMed citation Europe PMC 21150871 PubMed citation Europe PMC 21310893 PubMed citation Europe PMC 21715427 PubMed citation Europe PMC 22258322 PubMed citation Europe PMC 22353356 PubMed citation Europe PMC Last Modified 24 February 2016