| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4646416
Max Phase: Preclinical
Molecular Formula: C18H30O2
Molecular Weight: 278.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C=C1CC[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@@H]1CCC(C)=O
Standard InChI: InChI=1S/C18H30O2/c1-13-6-9-16-17(3,12-19)10-5-11-18(16,4)15(13)8-7-14(2)20/h15-16,19H,1,5-12H2,2-4H3/t15-,16-,17+,18+/m1/s1
Standard InChI Key: KDFIUXIPXNKEPM-BDXSIMOUSA-N
Associated Targets(Human)
Neutrophil 395 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 278.44 | Molecular Weight (Monoisotopic): 278.2246 | AlogP: 4.13 | #Rotatable Bonds: 4 |
| 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: 3.40 | CX LogD: 3.40 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.79 | Np Likeness Score: 3.01 |
References
| 1. Al-Sayed E, Ke TY, Hwang TL, Chen SR, Korinek M, Chen SL, Cheng YB.. (2020) Cytotoxic and anti-inflammatory effects of lignans and diterpenes from Cupressus macrocarpa., 30 (10): [PMID:32223924] [10.1016/j.bmcl.2020.127127] |
Source
Source(1):