| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5290113
Max Phase: Preclinical
Molecular Formula: C21H26O7
Molecular Weight: 390.43
Associated Items:
Representations
Canonical SMILES: C=C(C)C(CC/C(C)=C/COc1c(OC)cc2ccc(=O)oc2c1OC)OO
Standard InChI: InChI=1S/C21H26O7/c1-13(2)16(28-23)8-6-14(3)10-11-26-20-17(24-4)12-15-7-9-18(22)27-19(15)21(20)25-5/h7,9-10,12,16,23H,1,6,8,11H2,2-5H3/b14-10+
Standard InChI Key: YMKFINXJWAJZIH-GXDHUFHOSA-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: 390.43 | Molecular Weight (Monoisotopic): 390.1679 | AlogP: 4.35 | #Rotatable Bonds: 10 |
| Polar Surface Area: 87.36 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.71 | CX Basic pKa: | CX LogP: 3.61 | CX LogD: 3.61 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.28 | Np Likeness Score: 2.10 |
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):