| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4289757
Max Phase: Preclinical
Molecular Formula: C16H18O6
Molecular Weight: 306.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc2ccc(=O)oc2c(OC)c1OCC1OC1(C)C
Standard InChI: InChI=1S/C16H18O6/c1-16(2)11(22-16)8-20-14-10(18-3)7-9-5-6-12(17)21-13(9)15(14)19-4/h5-7,11H,8H2,1-4H3
Standard InChI Key: ZJHAMRQWRXSFLI-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: 306.31 | Molecular Weight (Monoisotopic): 306.1103 | AlogP: 2.37 | #Rotatable Bonds: 5 |
| Polar Surface Area: 70.43 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.85 | CX LogD: 1.85 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.62 | Np Likeness Score: 1.74 |
References
| 1. Tamura S, Yoshihira K, Kawano T, Murakami N.. (2018) Inhibitor for FcεRI expression on mast cell from Verbasucum thapsus L., 28 (20): [PMID:30217416] [10.1016/j.bmcl.2018.09.007] |
Source
Source(1):