General Information of the Compound
Compound ID
CP0081624
Compound Name
2-phenylchromen-4-one
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Synonyms
2-Phenyl-4-benzopyron
2-Phenyl-4-chromone
2-Phenyl-4H-1-benzopyran-4-one
2-Phenyl-4H-benzopyran-4-one
2-Phenyl-4H-chromen-4-on
2-Phenyl-4H-chromen-4-one
2-Phenyl-chromen-4-one
2-Phenyl-gamma-benzopyrone
2-Phenylbenzopyran-4-one
2-Phenylchrome
2-Phenylchromone
2-phenylchromen-4-one
4H-1-Benzopyran-4-one, 2-phenyl-
525-82-6
Asmacoril
BRN 0157598
CCRIS 4288
Chromocor
Cromaril
Cromarile
EINECS 208-383-8
FLAVONE
Flavon
Flavone
NSC 19028
NSC-19028
NSC19028
Phenylchromone
UNII-S2V45N7G3B
flavone
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Structure
Formula
C15H10O2
Molecular Weight
222.243
Canonical SMILES
O=c1cc(oc2ccccc12)-c1ccccc1
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InChI
InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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InChIKey
VHBFFQKBGNRLFZ-UHFFFAOYSA-N
CAS
525-82-6
11091-19-3
Physicochemical Property
logP
3.46
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
30.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 10680
SID: 14797981
ChEMBL ID
CHEMBL275638
DrugBank ID
DB07776
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: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 16900 nM
   TI
   LI
   LO
   TS
Protein ID: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000257 MDA-kb2 Homo sapiens (Human)  1
1
IC50 = 5900 nM
   TI
   LI
   LO
   TS
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 17000 nM
   TI
   LI
   LO
   TS
CL000756 MCF/MX Homo sapiens (Human)  1
1
IC50 = 26000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00955, DNA-dependent protein kinase catalytic subunit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 730.8 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( flavone )
Drug Name flavone
Target(s)
Androgen receptor messenger RNA (AR mRNA)
Inhibitor
Aromatase (CYP19A1)
Inhibitor
Adenosine A2b receptor (ADORA2B)
Antagonist
Adenosine A1 receptor (ADORA1)
Antagonist
GABA(A) receptor alpha-1 (GABRA1)
Inhibitor
Adenosine A3 receptor (ADORA3)
Antagonist