| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4762659
Max Phase: Preclinical
Molecular Formula: C16H14O4
Molecular Weight: 270.28
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(C)c2c(=O)c3ccccc3oc2c1OC
Standard InChI: InChI=1S/C16H14O4/c1-9-8-12(18-2)15(19-3)16-13(9)14(17)10-6-4-5-7-11(10)20-16/h4-8H,1-3H3
Standard InChI Key: VVYFFOZHZYSYDQ-UHFFFAOYSA-N
Associated Targets(Human)
Tyrosinase 717 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 270.28 | Molecular Weight (Monoisotopic): 270.0892 | AlogP: 3.27 | #Rotatable Bonds: 2 |
| Polar Surface Area: 48.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.16 | CX LogD: 3.16 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.67 | Np Likeness Score: 0.67 |
References
| 1. Rosa GP,Palmeira A,Resende DISP,Almeida IF,Kane-Pagès A,Barreto MC,Sousa E,Pinto MMM. (2021) Xanthones for melanogenesis inhibition: Molecular docking and QSAR studies to understand their anti-tyrosinase activity., 29 [PMID:33242700] [10.1016/j.bmc.2020.115873] |
Source
Source(1):