General Information of the Compound
Compound ID
CP0546549
Compound Name
5-ethyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
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Structure
Formula
C18H24O2
Molecular Weight
272.388
Canonical SMILES
CCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1
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InChI
InChI=1S/C18H24O2/c1-5-13-9-16(19)18(17(20)10-13)15-8-12(4)6-7-14(15)11(2)3/h8-10,14-15,19-20H,2,5-7H2,1,3-4H3/t14-,15+/m0/s1
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InChIKey
YURJBXYTSFIOOT-LSDHHAIUSA-N
Physicochemical Property
logP
4.6762
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 129210056
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 31.62 nM
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