General Information of the Compound
Compound ID
CP0097480
Compound Name
7-Hydroxy-4-phenyl-chromen-2-one
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Synonyms
2555-30-8
2H-1-Benzopyran-2-one, 7-hydroxy-4-phenyl-
2H-1-Benzopyran-2-one,7-hydroxy-4-phenyl-
4-Phenyl-7-hydroxycoumarin
4-Phenylumbelliferone
7-Hydroxy-4-phenyl-chromen-2-one
7-Hydroxy-4-phenylcoumarin
7-Hydroxy4-phenylcoumarin
7-hydroxy-4-phenyl coumarin
7-hydroxy-4-phenyl-2H-chromen-2-one
7-hydroxy-4-phenylchromen-2-one
7-oxidanyl-4-phenyl-chromen-2-one
AC1NSAV1
CHEMBL325841
Coumarin derivative, 3c
L0487H6Q0H
MLS001143868
NSC-78474
NSC78474
Oprea1_774373
PubChem8691
SCHEMBL2987658
UNII-L0487H6Q0H
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Structure
Formula
C15H10O3
Molecular Weight
238.242
Canonical SMILES
Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1
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InChI
InChI=1S/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16H
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InChIKey
IVJMJRRORVMRJJ-UHFFFAOYSA-N
CAS
2555-30-8
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: 5357479
SID: 15267776
ChEMBL ID
CHEMBL325841
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: PT03321, 17-beta-hydroxysteroid dehydrogenase type 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 14581 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 7-Hydroxy-4-phenylcoumarin )
Drug Name 7-Hydroxy-4-phenylcoumarin
Target(s)
Aldose reductase (AKR1B1)
 Target Info 
Inhibitor