| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266890
Max Phase: Preclinical
Molecular Formula: C20H24O4
Molecular Weight: 328.41
Associated Items:
Representations
Canonical SMILES: COC(C)(C)/C=C/C/C(C)=C/COc1ccc2ccc(=O)oc2c1
Standard InChI: InChI=1S/C20H24O4/c1-15(6-5-12-20(2,3)22-4)11-13-23-17-9-7-16-8-10-19(21)24-18(16)14-17/h5,7-12,14H,6,13H2,1-4H3/b12-5+,15-11+
Standard InChI Key: HSQQMAPGYSIBOS-SZCVXIABSA-N
Associated Targets(Human)
Mesenchymal stem cells 332 Activities
Molecule Features
| Natural Product: No | 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: 328.41 | Molecular Weight (Monoisotopic): 328.1675 | AlogP: 4.49 | #Rotatable Bonds: 7 |
| Polar Surface Area: 48.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.02 | CX LogD: 4.02 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.55 | Np Likeness Score: 1.76 |
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):