General Information of the Compound
Compound ID
CP0179169
Compound Name
1,2-Bis-(4-hydroxy-phenyl)-3H-inden-5-ol
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Synonyms
1,2-Bis-(4-hydroxy-phenyl)-3H-inden-5-ol
CHEMBL26865
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Structure
Formula
C21H16O3
Molecular Weight
316.356
Canonical SMILES
Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(O)cc1
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InChI
InChI=1S/C21H16O3/c22-16-5-1-13(2-6-16)20-12-15-11-18(24)9-10-19(15)21(20)14-3-7-17(23)8-4-14/h1-11,22-24H,12H2
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InChIKey
PTZCIKOPLAEWTE-UHFFFAOYSA-N
Physicochemical Property
logP
4.3186
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
60.69
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 11638264
SID: 16741495
ChEMBL ID
CHEMBL26865
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: PT00886, Estrogen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1,2-Bis-(4-hydroxy-phenyl)-3H-inden-5-ol )
Drug Name 1,2-Bis-(4-hydroxy-phenyl)-3H-inden-5-ol
Target(s)
Estrogen receptor beta (ESR2)
Inhibitor
Estrogen receptor (ESR)
Inhibitor