| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267763
Max Phase: Preclinical
Molecular Formula: C16H14O5
Molecular Weight: 286.28
Associated Items:
Representations
Canonical SMILES: C=C(C)C(O)COc1c2occc2cc2ccc(=O)oc12
Standard InChI: InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3
Standard InChI Key: RTUPRHIHXSAWDP-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: 286.28 | Molecular Weight (Monoisotopic): 286.0841 | AlogP: 2.86 | #Rotatable Bonds: 4 |
| Polar Surface Area: 72.81 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.84 | CX Basic pKa: | CX LogP: 2.13 | CX LogD: 2.13 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.59 | Np Likeness Score: 1.88 |
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):