Structure

InChI Key JPGKFBXFEQWCAI-CCLYOLAMSA-N
Smiles COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.O.O=P(O)(O)O
InChI
InChI=1S/C18H21NO3.H3O4P.H2O/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4;/h3-6,11-13,17,20H,7-9H2,1-2H3;(H3,1,2,3,4);1H2/t11-,12+,13-,17-,18-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26NO8P
Molecular Weight 415.38
AlogP 1.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 41.93
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Bioactivity

Mechanism of Action Action Reference
Opioid receptors; mu/kappa/delta agonist AGONIST PubMed PubMed Wikipedia Wikipedia
Protein: Opioid receptors; mu/kappa/delta

Description: Mu-type opioid receptor

Organism : Homo sapiens

P35372 ENSG00000112038
Protein: Opioid receptors; mu/kappa/delta

Description: Delta-type opioid receptor

Organism : Homo sapiens

P41143 ENSG00000116329
Protein: Opioid receptors; mu/kappa/delta

Description: Kappa-type opioid receptor

Organism : Homo sapiens

P41145 ENSG00000082556

Cross References

Resources Reference
ChEMBL CHEMBL1201099
FDA SRS GSL05Y1MN6
PubChem 6321303
SureChEMBL SCHEMBL2515523