General Information of the Compound
Compound ID
CP0446861
Compound Name
4-[1-cyclohexyloxy-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl]-2-methoxyphenol
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Structure
Formula
C27H36O6
Molecular Weight
456.579
Canonical SMILES
COc1cc(ccc1O)C(OC1CCCCC1)C(C)Oc1c(OC)cc(CC=C)cc1OC
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InChI
InChI=1S/C27H36O6/c1-6-10-19-15-24(30-4)27(25(16-19)31-5)32-18(2)26(33-21-11-8-7-9-12-21)20-13-14-22(28)23(17-20)29-3/h6,13-18,21,26,28H,1,7-12H2,2-5H3
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InChIKey
IOMWMZXLSBIPLQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.0044
Rotatable Bonds
11
Heavy Atom Count
33
Polar Areas
66.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 71582567
SID: 163634381
ChEMBL ID
CHEMBL4076657
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 54 nM
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