| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5283771
Max Phase: Preclinical
Molecular Formula: C16H13NO2
Molecular Weight: 251.28
Associated Items:
Representations
Canonical SMILES: Cn1c(-c2ccccc2)cc(=O)c2c(O)cccc21
Standard InChI: InChI=1S/C16H13NO2/c1-17-12-8-5-9-14(18)16(12)15(19)10-13(17)11-6-3-2-4-7-11/h2-10,18H,1H3
Standard InChI Key: PKIWUAXCGOWBKS-UHFFFAOYSA-N
Associated Targets(Human)
Mesenchymal stem cells 332 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 251.28 | Molecular Weight (Monoisotopic): 251.0946 | AlogP: 2.91 | #Rotatable Bonds: 1 |
| Polar Surface Area: 42.23 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.82 | CX Basic pKa: 1.71 | CX LogP: 3.43 | CX LogD: 3.41 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.72 | Np Likeness Score: 0.31 |
References
| 1. Nhoek P, Ahn S, Pel P, Kim YM, Huh J, Kim HW, Noh M, Chin YW.. (2023) Alkaloids and Coumarins with Adiponectin-Secretion-Promoting Activities from the Leaves of Orixa japonica., 86 (1.0): [PMID:36529937] [10.1021/acs.jnatprod.2c00844] |
Source
Source(1):