levonantradol   Click here for help

GtoPdb Ligand ID: 11818

Synonyms: (-)-nantradol | CP 50,556-1
Compound class: Synthetic organic
Comment: Levonantradol is a synthetic cannabinoid analogue [1-2].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 67.79
Molecular weight 437.26
XLogP 5.22
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES O[C@@H]1CC[C@@H]2[C@@H](C1)c1c(N[C@H]2C)cc(cc1OC(=O)C)O[C@@H](CCCc1ccccc1)C
Isomeric SMILES C[C@H]1[C@@H]2CC[C@H](C[C@H]2c2c(N1)cc(cc2OC(=O)C)O[C@H](C)CCCc1ccccc1)O
InChI InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3/t17-,18+,21-,23+,24-/m1/s1
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
4791 levonantradol
Synonyms Click here for help
(-)-nantradol | CP 50,556-1
Database Links Click here for help
Specialist databases
GPCRdb Ligand levonantradol
Other databases
BindingDB Ligand 50006442
CAS Registry No. 71048-87-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL2111116
GtoPdb PubChem SID 458923853
PubChem CID 5361881
Search Google for chemical match using the InChIKey FFVXQGMUHIJQAO-BFKQJKLPSA-N
Search Google for chemicals with the same backbone FFVXQGMUHIJQAO
Search PubMed clinical trials levonantradol
Search PubMed titles levonantradol
Search PubMed titles/abstracts levonantradol
UniChem Compound Search for chemical match using the InChIKey FFVXQGMUHIJQAO-BFKQJKLPSA-N
UniChem Connectivity Search for chemical match using the InChIKey FFVXQGMUHIJQAO-BFKQJKLPSA-N