| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3121618
Max Phase: Preclinical
Molecular Formula: C17H12O6
Molecular Weight: 312.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)COc1cc(O)cc2oc(-c3ccccc3)cc(=O)c12
Standard InChI: InChI=1S/C17H12O6/c18-11-6-14(22-9-16(20)21)17-12(19)8-13(23-15(17)7-11)10-4-2-1-3-5-10/h1-8,18H,9H2,(H,20,21)
Standard InChI Key: MLKUTAWBHKBHET-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: 312.28 | Molecular Weight (Monoisotopic): 312.0634 | AlogP: 2.63 | #Rotatable Bonds: 4 |
| Polar Surface Area: 96.97 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.72 | CX Basic pKa: | CX LogP: 1.98 | CX LogD: -2.38 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.77 | Np Likeness Score: 0.74 |
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):