| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4792623
Max Phase: Preclinical
Molecular Formula: C14H10O5
Molecular Weight: 258.23
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(O)c(O)c2oc3cc(O)ccc3c(=O)c12
Standard InChI: InChI=1S/C14H10O5/c1-6-4-9(16)13(18)14-11(6)12(17)8-3-2-7(15)5-10(8)19-14/h2-5,15-16,18H,1H3
Standard InChI Key: WJDKXAMDTHYOLG-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: 258.23 | Molecular Weight (Monoisotopic): 258.0528 | AlogP: 2.37 | #Rotatable Bonds: 0 |
| Polar Surface Area: 90.90 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.29 | CX Basic pKa: | CX LogP: 2.56 | CX LogD: 2.14 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.43 | Np Likeness Score: 1.42 |
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):