5,6-Dihydroxyindole

Details

Top
Internal ID bdeb6539-bb13-4905-a2f3-d58e80c31b4d
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Hydroxyindoles
IUPAC Name 1H-indole-5,6-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
InChI Key SGNZYJXNUURYCH-UHFFFAOYSA-N
Popularity 630 references in papers

Physical and Chemical Properties

Top
Molecular Formula C8H7NO2
Molecular Weight 149.15 g/mol
Exact Mass 149.047678466 g/mol
Topological Polar Surface Area (TPSA) 56.30 Ų
XlogP 1.30

Synonyms

Top
3131-52-0
1H-Indole-5,6-diol
Dopamine lutine
dhi
5,6-dihydroxy indole
MFCD00798933
CHEMBL92636
Z3OC8499KG
CHEBI:27404
5,6-Dihydroxy-1H-indole
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 5,6-Dihydroxyindole

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.67% 91.11%
CHEMBL1937 Q92769 Histone deacetylase 2 85.87% 94.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.49% 94.45%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 84.04% 83.10%
CHEMBL213 P08588 Beta-1 adrenergic receptor 84.04% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.08% 99.15%
CHEMBL4208 P20618 Proteasome component C5 83.07% 90.00%
CHEMBL1951 P21397 Monoamine oxidase A 82.84% 91.49%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 82.79% 94.62%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.68% 92.94%
CHEMBL5485 P14920 D-amino-acid oxidase 80.12% 96.57%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 114683
LOTUS LTS0147291
wikiData Q9207472