CP55,244 - Moligand™ , Agonist of GPR55, CAS No.79732-51-7, Agonist of GPR55

CAS: 79732-51-7 Cat. No.: C609572 PubChem CID: 9844074

GRADE & PURITY Moligand™

Synonyms

(-)-CP 55244 | rel-(2R,4aR,6S,8S,8aS)-8-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]decahydro-6-hydroxy-2-naphthalenemethanol | CP55,244 | CP-55,244 | CP-55244, (+/-)- | Q27076897 | CP 55244 | (2R,4R,4aR,6S,8aS)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan

Storage

Room temperature

Specifications

Synonyms

(-)-CP 55244 | rel-(2R, 4aR, 6S, 8S, 8aS)-8-[4-(1, 1-Dimethylheptyl)-2-hydroxyphenyl]decahydro-6-hydroxy-2-naphthalenemethanol | CP55, 244 | CP-55, 244 | CP-55244, (+/-)- | Q27076897 | CP 55244 | (2R, 4R, 4aR, 6S, 8aS)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of GPR55

Names and Identifiers

• Canonical Smiles: CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)C[C@H]2[C@H]1C[C@@H](CO)CC2)(C)C
• IUPAC Name: (2R,4R,4aR,6S,8aS)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
• InChIKey: ZAELPWSCABXXAB-NWXGMGMZSA-N
• INCHI: 1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m0/s1
• Isomeric SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2C[C@@H](C[C@H]3[C@H]2C[C@H](CC3)CO)O)O
• PubChem CID: 9844074

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Cyclohexylphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Cyclohexylphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylphenols
• Alternative Parents: Phenylpropanes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Cyclic alcohols and derivatives Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Cyclohexylphenol - Phenylpropane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexylphenols. These are compounds containing a cyclohexane lined to a phenol group.
• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GPR55 Tclin G-protein coupled receptor 55 (1 Activities)

Discover Target: GPR55

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)