General Information of the Compound
Compound ID
CP0089122
Compound Name
4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
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Structure
Formula
C14H12O2
Molecular Weight
212.248
Canonical SMILES
Oc1ccc(\C=C\c2ccc(O)cc2)cc1
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InChI
InChI=1S/C14H12O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,15-16H/b2-1+
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InChIKey
XLAIWHIOIFKLEO-OWOJBTEDSA-N
CAS
659-22-3
15058-36-3
Physicochemical Property
logP
3.2682
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 5282363
SID: 14773347
ChEMBL ID
CHEMBL196731
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 = 11000 nM
   TI
   LI
   LO
   TS
2
IC50 = 25200 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)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS