General Information of the Compound
Compound ID
CP0054358
Compound Name
6-(3-Hydroxy-phenyl)-naphthalen-2-ol
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Synonyms
6-(3-Hydroxy-phenyl)-naphthalen-2-ol
6-(3-hydroxyphenyl)-2-naphthol
6-(3-hydroxyphenyl)naphthalen-2-ol
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Structure
Formula
C16H12O2
Molecular Weight
236.27
Canonical SMILES
Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
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InChI
InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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InChIKey
VHWBXEUHUQDHDH-UHFFFAOYSA-N
Physicochemical Property
logP
3.918
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 10192730
SID: 15188996
ChEMBL ID
CHEMBL195217
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: PT01498, 17-beta-hydroxysteroid dehydrogenase type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 229 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-(3-Hydroxy-phenyl)-naphthalen-2-ol )
Drug Name 6-(3-Hydroxy-phenyl)-naphthalen-2-ol
Target(s)
Estrogen receptor (ESR)
Inhibitor
Estrogen receptor beta (ESR2)
Inhibitor
Tyrosinase (TYR)
Inhibitor
Albendazole monooxygenase (CYP3A4)
Inhibitor
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1)
Inhibitor