| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3409091
Max Phase: Preclinical
Molecular Formula: C14H16O3
Molecular Weight: 232.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc2c(C(C)C)c(O)cc(C)c2oc1=O
Standard InChI: InChI=1S/C14H16O3/c1-7(2)12-10-5-9(4)14(16)17-13(10)8(3)6-11(12)15/h5-7,15H,1-4H3
Standard InChI Key: VAOZKYYIOZFKKZ-UHFFFAOYSA-N
Associated Targets(non-human)
Artemia salina 1320 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: 232.28 | Molecular Weight (Monoisotopic): 232.1099 | AlogP: 3.24 | #Rotatable Bonds: 1 |
| Polar Surface Area: 50.44 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.02 | CX Basic pKa: | CX LogP: 3.63 | CX LogD: 3.63 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.77 | Np Likeness Score: 0.93 |
References
| 1. Al Muqarrabun LM, Ahmat N.. (2015) Medicinal uses, phytochemistry and pharmacology of family Sterculiaceae: a review., 92 [PMID:25599949] [10.1016/j.ejmech.2015.01.026] |
Source
Source(1):