| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4217347
Max Phase: Preclinical
Molecular Formula: C20H32O3
Molecular Weight: 320.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O
Standard InChI: InChI=1S/C20H32O3/c1-14(12-18(22)23)6-8-16-15(2)7-9-17-19(3,13-21)10-5-11-20(16,17)4/h12,16-17,21H,2,5-11,13H2,1,3-4H3,(H,22,23)/b14-12+/t16-,17-,19-,20+/m0/s1
Standard InChI Key: YGILXMANNHJYJZ-GQSMEJGBSA-N
Associated Targets(Human)
Neutrophil 395 Activities
Molecule Features
| Natural Product: No | 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: 320.47 | Molecular Weight (Monoisotopic): 320.2351 | AlogP: 4.57 | #Rotatable Bonds: 5 |
| Polar Surface Area: 57.53 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.62 | CX Basic pKa: | CX LogP: 4.20 | CX LogD: 1.49 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.58 | Np Likeness Score: 3.05 |
References
| 1. Kuo PC, Hung HY, Nian CW, Hwang TL, Cheng JC, Kuo DH, Lee EJ, Tai SH, Wu TS.. (2017) Chemical Constituents and Anti-inflammatory Principles from the Fruits of Forsythia suspensa., 80 (4): [PMID:28218000] [10.1021/acs.jnatprod.6b01141] |
Source
Source(1):