General Information of the Compound
Compound ID
CP0049346
Compound Name
5-Hydroxy-2-phenyl-chromen-4-one
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Synonyms
378AE9MHL3
491-78-1
4H-1-Benzopyran-4-one,5-hydroxy-2-phenyl-
5-Hydroxy-2-phenyl-4-benzopyrone
5-Hydroxy-2-phenyl-chromen-4-one
5-Hydroxy-2-phenylchromone
5-Hydroxyflavone
5-Hydroxyflavone, >=97%
5-hydroxy-2-phenyl-4H-chromen-4-one
5-hydroxy-2-phenyl-4h-chromen-4-on
5-hydroxy-2-phenylchromen-4-one
5-hydroxy-flavone
AC1Q6AKC
ACMC-209kf5
CHEMBL16807
EINECS 207-743-1
IYBLVRRCNVHZQJ-UHFFFAOYSA-N
MFCD00016944
MLS002639146
NSC 26745
NSC-26745
NSC26745
Oprea1_688541
Primuletin
Primuliten
UNII-378AE9MHL3
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Structure
Formula
C15H10O3
Molecular Weight
238.242
Canonical SMILES
Oc1cccc2oc(cc(=O)c12)-c1ccccc1
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InChI
InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
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InChIKey
IYBLVRRCNVHZQJ-UHFFFAOYSA-N
CAS
491-78-1
Physicochemical Property
logP
3.1656
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
50.44
Hydrogen Bond Donor Count
1
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: 68112
SID: 15220843
ChEMBL ID
CHEMBL16807
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: PT00894, Androgen receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000257 MDA-kb2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 300 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NSC-26745 )
Drug Name NSC-26745
Target(s)
Androgen receptor messenger RNA (AR mRNA)
 Target Info 
Inhibitor