| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5272017
Max Phase: Preclinical
Molecular Formula: C22H20O4
Molecular Weight: 348.40
Associated Items:
Representations
Canonical SMILES: CC1(C)CCc2cc(/C=C3\OC(=O)C=C3c3ccc(O)cc3)ccc2O1
Standard InChI: InChI=1S/C22H20O4/c1-22(2)10-9-16-11-14(3-8-19(16)26-22)12-20-18(13-21(24)25-20)15-4-6-17(23)7-5-15/h3-8,11-13,23H,9-10H2,1-2H3/b20-12-
Standard InChI Key: UQZCXQAHQVWOAC-NDENLUEZSA-N
Associated Targets(non-human)
Influenza A virus 11224 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 348.40 | Molecular Weight (Monoisotopic): 348.1362 | AlogP: 4.48 | #Rotatable Bonds: 2 |
| Polar Surface Area: 55.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.14 | CX Basic pKa: | CX LogP: 4.60 | CX LogD: 4.59 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.81 | Np Likeness Score: 1.45 |
References
| 1. Yi M, Lin S, Zhang B, Jin H, Ding L.. (2020) Antiviral potential of natural products from marine microbes., 207 [PMID:32937282] [10.1016/j.ejmech.2020.112790] |
Source
Source(1):