4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol
AlkaPlorer ID: AK273808
Synonym: None
IUPAC Name: 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol
Structure
SMILES: NC1=NC(C2=CC=C(O)C=C2O)=CS1
InChI: InChI=1S/C9H8N2O2S/c10-9-11-7(4-14-9)6-2-1-5(12)3-8(6)13/h1-4,12-13H,(H2,10,11)
InChIKey: JWBRZKPADMMQTN-UHFFFAOYSA-N
Reference
Alkaloids from the Root of <i>Isatis indigotica</i>
PubChem CID: 767450
CAS: 90850-44-5
SuperNatural Ⅲ: SN0176851
COCONUT: CNP0031802
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 208.242
TPSA？: 79.37
MolLogP？: 1.8035
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Tyrosinase | EC50 | 51.0 | ug.mL-1 | 10.1016/j.ejmech.2021.113744 |
| Homo sapiens | Tyrosinase | IC50 | 51000.0 | nM | 10.1021/acs.jmedchem.0c00994 |
| Sus scrofa | Fructose-1,6-bisphosphatase | IC50 | 93000.0 | nM | 10.1016/j.bmc.2009.04.030 |