General Information of the Compound
Compound ID
CP0392835
Compound Name
5-hydroxy-1-(4-hydroxyphenyl)decan-3-one
    Show/Hide
Structure
Formula
C16H24O3
Molecular Weight
264.365
Canonical SMILES
CCCCCC(O)CC(=O)CCc1ccc(O)cc1
    Show/Hide
InChI
InChI=1S/C16H24O3/c1-2-3-4-5-15(18)12-16(19)11-8-13-6-9-14(17)10-7-13/h6-7,9-10,15,17-18H,2-5,8,11-12H2,1H3
    Show/Hide
InChIKey
FRMHHBSZEGRPOM-UHFFFAOYSA-N
Physicochemical Property
logP
3.2252
Rotatable Bonds
9
Heavy Atom Count
19
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 9795270
SID: 14750302
ChEMBL ID
CHEMBL1950586
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 = 8400 nM
   TI
   LI
   LO
   TS
2
IC50 = 22600 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 = 1200 nM
   TI
   LI
   LO
   TS
2
IC50 = 10500 nM
   TI
   LI
   LO
   TS