| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271430
Max Phase: Preclinical
Molecular Formula: C20H16O4
Molecular Weight: 320.34
Associated Items:
Representations
Canonical SMILES: O=C1C[C@H](O)Cc2cc3cc(O)cc(-c4ccccc4)c3c(O)c21
Standard InChI: InChI=1S/C20H16O4/c21-14-7-12-6-13-8-15(22)10-17(23)19(13)20(24)18(12)16(9-14)11-4-2-1-3-5-11/h1-7,9,15,21-22,24H,8,10H2/t15-/m1/s1
Standard InChI Key: YOJJCUNCVRFLIN-OAHLLOKOSA-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: 320.34 | Molecular Weight (Monoisotopic): 320.1049 | AlogP: 3.41 | #Rotatable Bonds: 1 |
| Polar Surface Area: 77.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.21 | CX Basic pKa: | CX LogP: 3.73 | CX LogD: 3.67 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.64 | Np Likeness Score: 1.53 |
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):