General Information of the Compound
Compound ID
CP0076496
Compound Name
Benzofuran-6-ol
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Structure
Formula
C8H6O2
Molecular Weight
134.134
Canonical SMILES
Oc1ccc2ccoc2c1
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InChI
InChI=1S/C8H6O2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,9H
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InChIKey
UVJMVWURCUYFFK-UHFFFAOYSA-N
CAS
13196-11-7
Physicochemical Property
logP
2.1384
Rotatable Bonds
0
Heavy Atom Count
10
Polar Areas
33.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
10

"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: 128844
SID: 16520345
ChEMBL ID
CHEMBL351630
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: PT04359, Sulfotransferase 1A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Km = 180 nM
   TI
   LI
   LO
   TS
Protein ID: PT02668, Sulfotransferase 1E1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Km = 90900 nM
   TI
   LI
   LO
   TS