General Information of the Compound
Compound ID
CP0172077
Compound Name
1H-indol-5-ol
    Show/Hide
Synonyms
1-H-indol-5-ol
1953-54-4
1H-Indol-5-ol
1H-indol-5-ol320UN7XZYN
3fuh
4b3c
5-Hydroxy-1H-indole
5-Hydroxyindole
5-Hydroxyindole, 97%
5-Indolol
5-hydroxy indole
5-hydroxy-indol
5-hydroxy-indole
5-hydroxyindole
5-hydroxylindole
5H1
5Hydroxy-1H-indole
ACMC-1BQT3
BRN 0112349
CCRIS 4422
CHEBI:89649
EINECS 217-782-6
Hydroxy-5 indole
Hydroxy-5 indole [French]
Hydroxy-5 indole [French]
Hydroxy-5-indole
INDOL-5-OL
LMIQERWZRIFWNZ-UHFFFAOYSA-N
MFCD00005677
NSC 87503
NSC-87503
PubChem7263
UNII-320UN7XZYN
WLN: T56 BMJ GQ
zlchem 359
    Show/Hide
Structure
Formula
C8H7NO
Molecular Weight
133.15
Canonical SMILES
Oc1ccc2[nH]ccc2c1
    Show/Hide
InChI
InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
    Show/Hide
InChIKey
LMIQERWZRIFWNZ-UHFFFAOYSA-N
CAS
1953-54-4
Physicochemical Property
logP
1.8735
Rotatable Bonds
0
Heavy Atom Count
10
Polar Areas
36.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 16054
SID: 15219012
ChEMBL ID
CHEMBL404923
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 8199.5 nM
   TI
   LI
   LO
   TS
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 = 6620 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 = 575000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05154, Tyrosinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000087 B16 Mus musculus (Mouse)  1
1
IC50 = 68000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-hydroxyindole )
Drug Name 5-hydroxyindole
Target(s)
5-HT 3A receptor (HTR3A)
Modulator (allosteric modulator)