5,6-dihydroxyindole
AlkaPlorer ID: AK017530
Synonym: 'DHI', '5,6-Dihydroxyindole', '5,6-dihydroxyindole', '3131-52-0', 'Dopamine lutine'
IUPAC Name: 1H-indole-5,6-diol
Structure
SMILES: OC1=C(O)C=C2NC=CC2=C1
InChI: InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
InChIKey: SGNZYJXNUURYCH-UHFFFAOYSA-N
Reference
PubChem CID: 100991814
CAS: 3131-52-0
LOTUS: LTS0147291
NPASS: NPC326634
COCONUT: CNP0083566
Source
Properties Information
Molecule Weight: 149.14899999999997
TPSA？: 56.25
MolLogP？: 1.5790999999999995
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Catechol O-methyltransferase | K2 | 0.55 | min-1 | 10.1021/jm00345a013 |
| Rattus norvegicus | Catechol O-methyltransferase | Ki | 3460000.0 | nM | 10.1021/jm00345a013 |
| Rattus norvegicus | Catechol O-methyltransferase | Residual activity | 0.0 | % | 10.1021/jm00345a013 |
| Rattus norvegicus | Catechol O-methyltransferase | Residual activity | 96.0 | % | 10.1021/jm00345a013 |
| Rattus norvegicus | Catechol O-methyltransferase | Residual activity | 228.0 | c.p.m. | 10.1021/jm00345a013 |
| Rattus norvegicus | Catechol O-methyltransferase | Residual activity | 282.0 | c.p.m. | 10.1021/jm00345a013 |
| None | NON-PROTEIN TARGET | Inhibition | 54.4 | % | 10.1016/j.bmc.2013.12.040 |
| None | NON-PROTEIN TARGET | Inhibition | 84.4 | % | 10.1016/j.bmc.2013.12.040 |
| None | NON-PROTEIN TARGET | Inhibition | nan | % | 10.1016/j.bmc.2013.12.040 |