| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA462898
Max Phase: Preclinical
Molecular Formula: C16H12O7
Molecular Weight: 316.27
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 6-Methoxykaempferol
Synonyms from Alternative Forms(1):
Canonical SMILES: COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O
Standard InChI: InChI=1S/C16H12O7/c1-22-16-9(18)6-10-11(13(16)20)12(19)14(21)15(23-10)7-2-4-8(17)5-3-7/h2-6,17-18,20-21H,1H3
Standard InChI Key: OGQSUSFDBWGFFJ-UHFFFAOYSA-N
Associated Targets(non-human)
Cell division protein kinase 5 15 Activities
Molecule Features
| Natural Product: Yes | 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: 316.27 | Molecular Weight (Monoisotopic): 316.0583 | AlogP: 2.29 | #Rotatable Bonds: 2 |
| Polar Surface Area: 120.36 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.90 | CX Basic pKa: | CX LogP: 2.30 | CX LogD: 1.64 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.57 | Np Likeness Score: 1.59 |
References
| 1. Zapata-Torres G, Opazo F, Salgado C, Muñoz JP, Krautwurst H, Mascayano C, Sepúlveda-Boza S, Maccioni RB, Cassels BK.. (2004) Effects of natural flavones and flavonols on the kinase activity of Cdk5., 67 (3): [PMID:15043421] [10.1021/np034011s] |
Source
Source(1):