| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3121617
Max Phase: Preclinical
Molecular Formula: C26H20O7
Molecular Weight: 444.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)COc1cc(OC(=O)c2ccccc2)cc2oc(-c3ccccc3)cc(=O)c12
Standard InChI: InChI=1S/C26H20O7/c1-2-30-24(28)16-31-22-13-19(32-26(29)18-11-7-4-8-12-18)14-23-25(22)20(27)15-21(33-23)17-9-5-3-6-10-17/h3-15H,2,16H2,1H3
Standard InChI Key: QLOMWTQNQXXFTK-UHFFFAOYSA-N
Associated Targets(non-human)
H22 575 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 444.44 | Molecular Weight (Monoisotopic): 444.1209 | AlogP: 4.62 | #Rotatable Bonds: 7 |
| Polar Surface Area: 92.04 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.45 | CX LogD: 4.45 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.30 | Np Likeness Score: 0.05 |
References
| 1. Zhu ZY, Wang WX, Wang ZQ, Chen LJ, Zhang JY, Liu XC, Wu SP, Zhang YM.. (2014) Synthesis and antitumor activity evaluation of chrysin derivatives., 75 [PMID:24556144] [10.1016/j.ejmech.2013.12.044] |
Source
Source(1):