Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Z1XR
|
|||
| Former ID |
DNC014527
|
|||
| Drug Name |
2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one
|
|||
| Synonyms |
gamma-Thujaplicin; 5-Isopropyltropolone; 672-76-4; gamma-Thujaplicine; THUJAPLICIN, ALPHA; .gamma.-Thujaplicin; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-; NSC43338; .gamma.-Thujaplicine; 2-Hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one; NSC402794; NSC 43338; NSC 18805; NSC 402794; BRN 2044323; AI3-28399; MLS002608534; MLS002702822; CHEMBL1275999; CHEBI:10578; NSC18805; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-isopropyl-; 2-hydroxy-5-isopropyl-cyclohepta-2,4,6-trien-1-one; WLN: L7VJ BQ EY1& SMR001527281
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C10H12O2
|
|||
| Canonical SMILES |
CC(C)C1=CC=C(C(=O)C=C1)O
|
|||
| InChI |
1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)
|
|||
| InChIKey |
WKEWHSLZDDZONF-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 672-76-4
|
|||
| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:10578
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Tyrosinase (TYR) | Target Info | Inhibitor | [1] |
| BioCyc | (S)-reticuline biosynthesis | |||
| Eumelanin biosynthesis | ||||
| L-dopachrome biosynthesis | ||||
| KEGG Pathway | Tyrosine metabolism | |||
| Riboflavin metabolism | ||||
| Metabolic pathways | ||||
| Melanogenesis | ||||
| Pathwhiz Pathway | Riboflavin Metabolism | |||
| Tyrosine Metabolism | ||||
| WikiPathways | Dopamine metabolism | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structural insights into the hot spot amino acid residues of mushroom tyrosinase for the bindings of thujaplicins. Bioorg Med Chem. 2010 Nov 15;18(22):8112-8. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.