| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4175099
Max Phase: Preclinical
Molecular Formula: C20H28O2
Molecular Weight: 300.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C1C(=O)C2C3=C(CCC4C(C)(C)CCCC34C)CC1C2O
Standard InChI: InChI=1S/C20H28O2/c1-11-13-10-12-6-7-14-19(2,3)8-5-9-20(14,4)16(12)15(17(11)21)18(13)22/h13-15,18,22H,1,5-10H2,2-4H3
Standard InChI Key: FQDAEGYLRVQRKN-UHFFFAOYSA-N
Associated Targets(Human)
SU-DHL-2 105 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: 300.44 | Molecular Weight (Monoisotopic): 300.2089 | AlogP: 4.05 | #Rotatable Bonds: 0 |
| Polar Surface Area: 37.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.59 | CX LogD: 3.59 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.54 | Np Likeness Score: 3.08 |
References
| 1. Yue Z, Xiao X, Wu J, Zhou X, Liu W, Liu Y, Li H, Chen G, Wu Y, Lei X.. (2018) ent-Jungermannenone C Triggers Reactive Oxygen Species-Dependent Cell Differentiation in Leukemia Cells., 81 (2): [PMID:29394050] [10.1021/acs.jnatprod.7b00722] |
Source
Source(1):