General Information of the Compound
Compound ID
CP0210008
Compound Name
3,4',5-trihydroxybibenzyl
    Show/Hide
Synonyms
1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)ethyl)-
3,4'',5-trihydroxybibenzyl
3,4',5-Trihydroxybibenzyl
3,5,4'-trihydroxybibenzyl
3ftu
5-(4-hydroxyphenethyl)benzene-1,3-diol
5-[2-(4-hydroxyphenyl)ethyl]-1,3-Benzenediol
5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol
58436-28-5
AC1L4HRG
AC1Q79W7
AKOS030555676
BDBM50085531
C10255
CHEBI:4582
CHEMBL111234
CTK5A8302
Dihydro-Resveratrol
Dihydroresveratol
Dihydroresveratrol
LMPK13090035
MolPort-035-706-156
NSC723534
RE2
SCHEMBL716856
ZINC899123
a, b-Dihydroresveratrol
    Show/Hide
Structure
Formula
C14H14O3
Molecular Weight
230.263
Canonical SMILES
Oc1ccc(CCc2cc(O)cc(O)c2)cc1
    Show/Hide
InChI
InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
    Show/Hide
InChIKey
HITJFUSPLYBJPE-UHFFFAOYSA-N
CAS
58436-28-5
Physicochemical Property
logP
2.5886
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
60.69
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 185914
SID: 14868148
ChEMBL ID
CHEMBL111234
DrugBank ID
DB08466
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: PT02149, Transient receptor potential cation channel subfamily A member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 > 30000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 > 30000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol )
Drug Name 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol
Target(s)
Leukotriene A-4 hydrolase (LTA4H)
 Target Info 
Inhibitor