| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4743650
Max Phase: Preclinical
Molecular Formula: C17H18O5
Molecular Weight: 302.33
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C=C1O[C@@H]2[C@@H](OC(C)=O)C3=C(C)C(=O)OC3=C[C@@]2(C)[C@@H]2C[C@H]12
Standard InChI: InChI=1S/C17H18O5/c1-7-13-12(22-16(7)19)6-17(4)11-5-10(11)8(2)20-15(17)14(13)21-9(3)18/h6,10-11,14-15H,2,5H2,1,3-4H3/t10-,11-,14+,15-,17+/m1/s1
Standard InChI Key: HBJAPGXWLUJBPF-IYPIUBDMSA-N
Associated Targets(Human)
Neutrophil 395 Activities
Molecule Features
| Natural Product: No | 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: 302.33 | Molecular Weight (Monoisotopic): 302.1154 | AlogP: 2.24 | #Rotatable Bonds: 1 |
| Polar Surface Area: 61.83 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.22 | CX LogD: 1.22 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.70 | Np Likeness Score: 2.71 |
References
| 1. Kuo PC,Wu YH,Hung HY,Lam SH,Ma GH,Kuo LM,Hwang TL,Kuo DH,Wu TS. (2020) Anti-inflammatory principles from Lindera aggregata., 30 (13): [PMID:32359855] [10.1016/j.bmcl.2020.127224] |
Source
Source(1):