General Information of the Compound
Compound ID
CP0853766
Compound Name
(E)-1-(4-Hydroxyphenyl)-11-phenylundec-4-en-3-one
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Structure
Formula
C23H28O2
Molecular Weight
336.475
Canonical SMILES
O=C(/C=C/CCCCCCc1ccccc1)CCc1ccc(O)cc1
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InChI
InChI=1S/C23H28O2/c24-22(17-14-21-15-18-23(25)19-16-21)13-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-9,11-13,15-16,18-19,25H,1-4,6,10,14,17H2/b13-9+
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InChIKey
DBGSDNPEMVBHRR-UKTHLTGXSA-N
Physicochemical Property
logP
5.6433
Rotatable Bonds
11
Heavy Atom Count
25
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 57394367
ChEMBL ID
CHEMBL1950598
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: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 2200 nM
   TI
   LI
   LO
   TS
2
IC50 = 2300 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 100 nM
   TI
   LI
   LO
   TS
2
IC50 = 1200 nM
   TI
   LI
   LO
   TS