General Information of the Compound
Compound ID
CP0165951
Compound Name
(1R*,3S*)-3-[4-(1,1-dimethylheptyl)phenyl]cyclohexanol
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Synonyms
(1R,3S)3-[4-(1,1-dimethylheptyl)phenyl]cyclohexanol
BDBM50323907
CHEMBL263386
JWH-324
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Structure
Formula
C21H34O
Molecular Weight
302.502
Canonical SMILES
CCCCCCC(C)(C)c1ccc(cc1)[C@H]1CCC[C@@H](O)C1
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InChI
InChI=1S/C21H34O/c1-4-5-6-7-15-21(2,3)19-13-11-17(12-14-19)18-9-8-10-20(22)16-18/h11-14,18,20,22H,4-10,15-16H2,1-3H3/t18-,20+/m0/s1
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InChIKey
CICRJVLFNFCUOX-AZUAARDMSA-N
Physicochemical Property
logP
5.9531
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44452650
ChEMBL ID
CHEMBL263386
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 231 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 231 nM
Clinical Information about the Compound
Drug 1 ( JWH-324 )
Drug Name JWH-324
Target(s)
Cannabinoid receptor 1 (CB1)
Inhibitor
Cannabinoid receptor 2 (CB2)
Inhibitor