Structure

InChI Key BOOOLEGQBVUTKC-NVQSDHBMSA-N
Smiles CC(/C=C/[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O
InChI
InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32O2
Molecular Weight 352.52
AlogP 5.9
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Target Conservation

Protein: Retinoid X receptor

Description: Retinoic acid receptor RXR-alpha

Organism : Homo sapiens

P19793 ENSG00000186350
Protein: Retinoid X receptor

Description: Retinoic acid receptor RXR-beta

Organism : Homo sapiens

P28702 ENSG00000204231
Protein: Retinoid X receptor

Description: Retinoic acid receptor RXR-gamma

Organism : Homo sapiens

P48443 ENSG00000143171

Cross References

Resources Reference
ChEMBL CHEMBL75133
DrugBank DB11806
FDA SRS 877M97Z38Y
SureChEMBL SCHEMBL3437269
ZINC ZINC000001550770