General Information of the Compound
Compound ID
CP0390083
Compound Name
7-hydroxy-3-(4-hydroxyphenyl)chromen-2-one
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Structure
Formula
C15H10O4
Molecular Weight
254.241
Canonical SMILES
Oc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
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InChI
InChI=1S/C15H10O4/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,16-17H
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InChIKey
FLVROUNAFWXBQG-UHFFFAOYSA-N
Physicochemical Property
logP
2.8712
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 10244018
SID: 15246716
ChEMBL ID
CHEMBL1915315
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: PT00889, Estrogen receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 542 nM
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   LI
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   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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   LO
   TS