arotinoid acid (CHEBI:75261)

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ChEBI Name	arotinoid acid

ChEBI ID	CHEBI:75261

Definition	A retinoid that consists of benzoic acid substituted at position 4 by a 2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl group. It is a synthetic retinoid that acts as a selective agonist for the retinoic acid receptors (RAR).

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:46258

Supplier Information

Download	Molfile XML SDF

Formula

C24H28O2

Net Charge

Average Mass

348.47790

Monoisotopic Mass

348.20893

InChI

InChI=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+

InChIKey

FOIVPCKZDPCJJY-JQIJEIRASA-N

SMILES

C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C

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 agonist An agonist that selectively binds to and activates a retinoic acid receptor. teratogenic agent A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. retinoic acid receptor agonist An agonist that selectively binds to and activates a retinoic acid receptor.

ChEBI Ontology
Outgoing	arotinoid acid (CHEBI:75261) has role antineoplastic agent (CHEBI:35610) arotinoid acid (CHEBI:75261) has role retinoic acid receptor agonist (CHEBI:67198) arotinoid acid (CHEBI:75261) has role teratogenic agent (CHEBI:50905) arotinoid acid (CHEBI:75261) is a benzoic acids (CHEBI:22723) arotinoid acid (CHEBI:75261) is a naphthalenes (CHEBI:25477) arotinoid acid (CHEBI:75261) is a retinoid (CHEBI:26537)

IUPAC Name

4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid

Last Modified

28 July 2014