| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270947
Max Phase: Preclinical
Molecular Formula: C16H14O5
Molecular Weight: 286.28
Associated Items:
Representations
Canonical SMILES: COc1cccc2oc3cc(C)c(O)c(CO)c3c(=O)c12
Standard InChI: InChI=1S/C16H14O5/c1-8-6-12-13(9(7-17)15(8)18)16(19)14-10(20-2)4-3-5-11(14)21-12/h3-6,17-18H,7H2,1-2H3
Standard InChI Key: YRDJXNRZNOUOGI-UHFFFAOYSA-N
Associated Targets(non-human)
Influenza A virus 11224 Activities
Molecule Features
| Natural Product: Yes | 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: 286.28 | Molecular Weight (Monoisotopic): 286.0841 | AlogP: 2.46 | #Rotatable Bonds: 2 |
| Polar Surface Area: 79.90 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.89 | CX Basic pKa: | CX LogP: 2.24 | CX LogD: 2.24 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.71 | Np Likeness Score: 1.22 |
References
| 1. Takahashi JA, Barbosa BVR, Lima MTNS, Cardoso PG, Contigli C, Pimenta LPS.. (2021) Antiviral fungal metabolites and some insights into their contribution to the current COVID-19 pandemic., 46 [PMID:34438338] [10.1016/j.bmc.2021.116366] |
Source
Source(1):