Structure

InChI Key RQHILGKAOIGUHU-BUCMUWKRSA-N
Smile COCCOCCOCCOCCOCCOCCO[C@H]1CCC2(O)[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5
InChI
InChI=1S/C31H49NO10/c1-32-9-8-30-27-23-4-5-24(35-3)28(27)42-29(30)25(6-7-31(30,33)26(32)22-23)41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-34-2/h4-5,25-26,29,33H,6-22H2,1-3H3/t25-,26+,29-,30-,31?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H49NO10
Molecular Weight 595.73
AlogP 1.59
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 20.0
Polar Surface Area 106.54
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 42.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist FDA PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Low Back Pain 3 D017116 ClinicalTrials
Chronic Pain 3 D059350 ClinicalTrials
Osteoarthritis, Knee 2 D020370 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297632
FDA SRS J2WIV0JMML
PubChem 73673720