General Information of the Compound
Compound ID
CP0036127
Compound Name
(E)-1,3-Bis-(4-hydroxy-phenyl)-propenone
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Synonyms
(E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
(E)-4,4'-Dihydroxychalcone
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
1,3-bis(4-hydroxyphenyl)propenone
3600-61-1
4'',4-Dihydroxychalcone
4',4-Dihydroxychalcone
4,4''-dihydroxychalcone
4,4'-Dihydroxybenzylidene acetophenone
4,4'-Dihydroxychalcone
4,4'-Dihydroxychalcone, (E)-
AC1NV3S6
AKOS022660924
BDBM50068224
CHEMBL145927
CKY3J88Z94
LMPK12120193
NSC-652891
NSC652891
RVC 588 (chalcone)
SCHEMBL773588
Trans-4,4'-dihydroxychalcone
UNII-CKY3J88Z94
ZINC5843955
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Structure
Formula
C15H12O3
Molecular Weight
240.258
Canonical SMILES
Oc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
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InChI
InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+
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InChIKey
FZQLEXXZAVVCCA-XCVCLJGOSA-N
CAS
3600-61-1
108997-30-4
Physicochemical Property
logP
2.9939
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 5467477
SID: 15196407
ChEMBL ID
CHEMBL145927
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: PT01039, Tissue factor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 0.96 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4',4-Dihydroxychalcone )
Drug Name 4',4-Dihydroxychalcone
Target(s)
Tyrosinase (TYR)
 Target Info 
Inhibitor