| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5182701
Max Phase: Preclinical
Molecular Formula: C18H16O4
Molecular Weight: 296.32
Associated Items:
Representations
Canonical SMILES: COc1cc2oc(CCc3ccccc3)cc(=O)c2cc1O
Standard InChI: InChI=1S/C18H16O4/c1-21-18-11-17-14(10-16(18)20)15(19)9-13(22-17)8-7-12-5-3-2-4-6-12/h2-6,9-11,20H,7-8H2,1H3
Standard InChI Key: KDCNUGSRRSQXCW-UHFFFAOYSA-N
Associated Targets(Human)
Nuclear factor NF-kappa-B complex 2307 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: 296.32 | Molecular Weight (Monoisotopic): 296.1049 | AlogP: 3.29 | #Rotatable Bonds: 4 |
| Polar Surface Area: 59.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.61 | CX Basic pKa: | CX LogP: 3.51 | CX LogD: 3.51 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.80 | Np Likeness Score: 0.83 |
References
| 1. Fan M, Yang W, He M, Li Y, Peng Z, Wang G.. (2022) Occurrence, synthesis and biological activity of 2-(2-phenyethyl)chromones., 237 [PMID:35472851] [10.1016/j.ejmech.2022.114397] |
Source
Source(1):