| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3088208
Max Phase: Preclinical
Molecular Formula: C18H20O2
Molecular Weight: 268.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(O)c1ccc(/C=C/c2ccc(C(C)O)cc2)cc1
Standard InChI: InChI=1S/C18H20O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h3-14,19-20H,1-2H3/b4-3+
Standard InChI Key: WEDJWLSGHUKIFQ-ONEGZZNKSA-N
Associated Targets(non-human)
PC-12 7051 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 268.36 | Molecular Weight (Monoisotopic): 268.1463 | AlogP: 3.96 | #Rotatable Bonds: 4 |
| Polar Surface Area: 40.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.61 | CX LogD: 3.61 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.82 | Np Likeness Score: 0.21 |
References
| 1. Garcia GX, Larsen SW, Pye C, Galbreath M, Isovitsch R, Fradinger EA.. (2013) The functional group on (E)-4,4'-disubstituted stilbenes influences toxicity and antioxidative activity in differentiated PC-12 cells., 23 (23): [PMID:24135726] [10.1016/j.bmcl.2013.09.073] |
Source
Source(1):