General Information of the Compound
Compound ID
CP0161709
Compound Name
5-Methoxy-2-phenyl-chromen-4-one
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Synonyms
42079-78-7
4H-1-Benzopyran-4-one, 5-methoxy-2-phenyl-
5 - Methoxyflavone
5-Methoxy-2-phenyl-4-benzopyrone
5-Methoxy-2-phenyl-chromen-4-one
5-Methoxyflavone
5-methoxy-2-phenyl-4h-chromen-4-one
5-methoxy-2-phenylchromen-4-one
AC1L3SE9
AC1Q6AKD
ACMC-20am2h
ACon1_000175
BDBM50296862
BIDD:ER0473
CHEMBL16685
DTXSID40194917
EINECS 255-652-0
KS-000014KU
MEGxp0_001704
MFCD00016942
MolPort-001-742-472
Oprea1_842256
Oprea1_859852
SCHEMBL1629391
ST069360
XRQSPUXANRGDAV-UHFFFAOYSA-N
ZINC5954
ghl.PD_Mitscher_leg0.1155
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Structure
Formula
C16H12O3
Molecular Weight
252.269
Canonical SMILES
COc1cccc2oc(cc(=O)c12)-c1ccccc1
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InChI
InChI=1S/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3
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InChIKey
XRQSPUXANRGDAV-UHFFFAOYSA-N
CAS
42079-78-7
Physicochemical Property
logP
3.4686
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
39.44
Hydrogen Bond Donor Count
0
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).

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PubChem ID
CID: 94525
SID: 14798682
ChEMBL ID
CHEMBL16685
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 = 8700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-Methoxyflavone )
Drug Name 5-Methoxyflavone
Target(s)
Androgen receptor messenger RNA (AR mRNA)
 Target Info 
Inhibitor