| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1801034
Max Phase: Preclinical
Molecular Formula: C15H10O4
Molecular Weight: 254.24
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 5,6-Dihydroxyflavone
Synonyms from Alternative Forms(1):
Canonical SMILES: O=c1cc(-c2ccccc2)oc2ccc(O)c(O)c12
Standard InChI: InChI=1S/C15H10O4/c16-10-6-7-12-14(15(10)18)11(17)8-13(19-12)9-4-2-1-3-5-9/h1-8,16,18H
Standard InChI Key: AGZAGADSYIYYCT-UHFFFAOYSA-N
Associated Targets(non-human)
BDNF/NT-3 growth factors receptor 124 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: 254.24 | Molecular Weight (Monoisotopic): 254.0579 | AlogP: 2.87 | #Rotatable Bonds: 1 |
| Polar Surface Area: 70.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.59 | CX Basic pKa: | CX LogP: 3.01 | CX LogD: 2.80 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.65 | Np Likeness Score: 1.06 |
References
| 1. Liu X, Chan CB, Jang SW, Pradoldej S, Huang J, He K, Phun LH, France S, Xiao G, Jia Y, Luo HR, Ye K.. (2010) A synthetic 7,8-dihydroxyflavone derivative promotes neurogenesis and exhibits potent antidepressant effect., 53 (23): [PMID:21073191] [10.1021/jm101206p] |
Source
Source(1):