Structure

InChI Key UMZNDVASJKIQCB-SODJFYQGSA-N
Smiles CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O.O.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C17H23NO.C4H6O6.2H2O/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10;;/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10);2*1H2/t14-,16+,17+;;;/m0.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H33NO9
Molecular Weight 443.49
AlogP 3.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor agonist AGONIST DailyMed DailyMed

Target Conservation

Protein: Mu opioid receptor

Description: Mu-type opioid receptor

Organism : Homo sapiens

P35372 ENSG00000112038

Cross References

Resources Reference
ChEMBL CHEMBL3989768
FDA SRS 04WQU6T9QI
KEGG C08014
PubChem 5462348
SureChEMBL SCHEMBL440814