| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3121616
Max Phase: Preclinical
Molecular Formula: C29H18O6
Molecular Weight: 462.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Oc1cc(OC(=O)c2ccccc2)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccccc1
Standard InChI: InChI=1S/C29H18O6/c30-23-18-24(19-10-4-1-5-11-19)34-25-16-22(33-28(31)20-12-6-2-7-13-20)17-26(27(23)25)35-29(32)21-14-8-3-9-15-21/h1-18H
Standard InChI Key: XGEYPCLLAKGAQQ-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: 462.46 | Molecular Weight (Monoisotopic): 462.1103 | AlogP: 5.90 | #Rotatable Bonds: 5 |
| Polar Surface Area: 82.81 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.29 | CX LogD: 6.29 |
| Aromatic Rings: 5 | Heavy Atoms: 35 | QED Weighted: 0.24 | Np Likeness Score: 0.28 |
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):