| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Gnetin D
ID: ALA5282221
Chembl Id: CHEMBL5282221
Max Phase: Preclinical
Molecular Formula: C28H22O7
Molecular Weight: 470.48
Associated Items:
Names and Identifiers
Canonical SMILES: Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2O)[C@H]3c2cc(O)cc(O)c2)cc1
Standard InChI: InChI=1S/C28H22O7/c29-18-5-3-15(4-6-18)1-2-16-9-24(34)27-25(10-16)35-28(22-8-7-19(30)14-23(22)33)26(27)17-11-20(31)13-21(32)12-17/h1-14,26,28-34H/b2-1+/t26-,28+/m0/s1
Standard InChI Key: SEFNUEXMMDHMHO-PDCCCBJGSA-N
Alternative Forms
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 |
|---|
Calculated Properties
| Molecular Weight: 470.48 | Molecular Weight (Monoisotopic): 470.1366 | AlogP: 5.36 | #Rotatable Bonds: 4 |
| Polar Surface Area: 130.61 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 6 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 8.44 | CX Basic pKa: | CX LogP: 5.66 | CX LogD: 5.62 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.22 | Np Likeness Score: 1.40 |
References
| 1. Mattio LM, Catinella G, Pinto A, Dallavalle S.. (2020) Natural and nature-inspired stilbenoids as antiviral agents., 202 [PMID:32652408] [10.1016/j.ejmech.2020.112541] |
Source
Source(1):