| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3358806
Max Phase: Preclinical
Molecular Formula: C15H12O4
Molecular Weight: 256.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(-c2cc3ccc(O)cc3o2)c(O)c1
Standard InChI: InChI=1S/C15H12O4/c1-18-11-4-5-12(13(17)8-11)15-6-9-2-3-10(16)7-14(9)19-15/h2-8,16-17H,1H3
Standard InChI Key: XDBDADAPEFSDHG-UHFFFAOYSA-N
Associated Targets(Human)
HMC1 (49 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: 256.26 | Molecular Weight (Monoisotopic): 256.0736 | AlogP: 3.52 | #Rotatable Bonds: 2 |
| Polar Surface Area: 62.83 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.35 | CX Basic pKa: | CX LogP: 2.93 | CX LogD: 2.89 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.74 | Np Likeness Score: 0.84 |
References
| 1. Yoo H, Chae HS, Kim YM, Kang M, Ryu KH, Ahn HC, Yoon KD, Chin YW, Kim J.. (2014) Flavonoids and arylbenzofurans from the rhizomes and roots of Sophora tonkinensis with IL-6 production inhibitory activity., 24 (24): [PMID:25467151] [10.1016/j.bmcl.2014.10.077] |
Source
Source(1):