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CD666 , CAS No.C608432, Agonist of Retinoic acid receptor-α;Agonist of Retinoic acid receptor-β;Agonist of Retinoic acid receptor-γ
Basic Description
Synonyms
CD 666;CD-666
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of Retinoic acid receptor-α;Agonist of Retinoic acid receptor-β;Agonist of Retinoic acid receptor-γ
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Cinnamyl alcohols Benzoic acids Styrenes Benzoyl derivatives Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamyl alcohol - Tetralin - Benzoic acid - Benzoic acid or derivatives - Styrene - Benzoyl - Monocyclic benzene moiety - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-[(E)-3-hydroxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
INCHI
InChI=1S/C24H28O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)21(25)12-7-16-5-8-17(9-6-16)22(26)27/h5-12,15,21,25H,13-14H2,1-4H3,(H,26,27)/b12-7+
InChIKey
QCSYBKHFYYISTQ-KPKJPENVSA-N
Smiles
OC(c1ccc2c(c1)C(C)(C)CCC2(C)C)/C=C/c1ccc(cc1)C(=O)O
Isomeric SMILES
CC1(CCC(C2=C1C=CC(=C2)C(/C=C/C3=CC=C(C=C3)C(=O)O)O)(C)C)C
PubChem CID
10090192
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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