| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA363230
Max Phase: Preclinical
Molecular Formula: C20H26O5
Molecular Weight: 346.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(C[C@H](C)[C@@H](C)Cc2cc(OC)c(O)cc2O)cc1O
Standard InChI: InChI=1S/C20H26O5/c1-12(7-14-5-6-19(24-3)17(22)9-14)13(2)8-15-10-20(25-4)18(23)11-16(15)21/h5-6,9-13,21-23H,7-8H2,1-4H3/t12-,13-/m0/s1
Standard InChI Key: ZOOFDRPDTGLOSE-STQMWFEESA-N
Associated Targets(Human)
Cell line 371 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: 346.42 | Molecular Weight (Monoisotopic): 346.1780 | AlogP: 3.88 | #Rotatable Bonds: 7 |
| Polar Surface Area: 79.15 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.71 | CX Basic pKa: | CX LogP: 4.75 | CX LogD: 4.74 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.71 | Np Likeness Score: 1.00 |
References
| 1. Lee WS, Baek YI, Kim JR, Cho KH, Sok DE, Jeong TS.. (2004) Antioxidant activities of a new lignan and a neolignan from Saururus chinensis., 14 (22): [PMID:15482936] [10.1016/j.bmcl.2004.08.054] |
Source
Source(1):