| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270370
Max Phase: Preclinical
Molecular Formula: C16H20O4
Molecular Weight: 276.33
Associated Items:
Representations
Canonical SMILES: C=C(C)C#CC1=C[C@@H]2O[C@@H](C(C)(C)O)C[C@]23O[C@@H]3[C@@H]1O
Standard InChI: InChI=1S/C16H20O4/c1-9(2)5-6-10-7-11-16(14(20-16)13(10)17)8-12(19-11)15(3,4)18/h7,11-14,17-18H,1,8H2,2-4H3/t11-,12+,13+,14+,16-/m0/s1
Standard InChI Key: RYJXVFAYRJLCCJ-YTBGYOSVSA-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: 276.33 | Molecular Weight (Monoisotopic): 276.1362 | AlogP: 0.93 | #Rotatable Bonds: 1 |
| Polar Surface Area: 62.22 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.11 | CX Basic pKa: | CX LogP: 0.79 | CX LogD: 0.79 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.55 | Np Likeness Score: 2.66 |
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):