JWH-133   Click here for help

GtoPdb Ligand ID: 747

Synonyms: JWH 133 | JWH133
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 9.23
Molecular weight 312.25
XLogP 7.12
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCC(c1ccc2c(c1)OC(C1C2CC(=CC1)C)(C)C)(C)C
Isomeric SMILES CCCC(c1ccc2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C)(C)C
InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
InChI Key YSBFLLZNALVODA-RBUKOAKNSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene
Synonyms Click here for help
JWH 133 | JWH133
Database Links Click here for help
BindingDB Ligand 50180036
CAS Registry No. 259869-55-1 (source: Scifinder)
ChEMBL Ligand CHEMBL371214
GtoPdb PubChem SID 135650450
PubChem CID 6918505
Search Google for chemical match using the InChIKey YSBFLLZNALVODA-RBUKOAKNSA-N
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Search UniChem for chemical match using the InChIKey YSBFLLZNALVODA-RBUKOAKNSA-N
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Wikipedia JWH-133

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Tocris
JWH 133
Cat. No. 1343