| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MACHILIN D
ID: ALA185692
Max Phase: Preclinical
Molecular Formula: C20H24O5
Molecular Weight: 344.41
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Machilin D
Synonyms from Alternative Forms(1):
Canonical SMILES: C/C=C/c1ccc(O[C@@H](C)[C@@H](O)c2ccc(O)c(OC)c2)c(OC)c1
Standard InChI: InChI=1S/C20H24O5/c1-5-6-14-7-10-17(19(11-14)24-4)25-13(2)20(22)15-8-9-16(21)18(12-15)23-3/h5-13,20-22H,1-4H3/b6-5+/t13-,20+/m0/s1
Standard InChI Key: WCFYXOLUODJLKB-QONXFYDISA-N
Associated Targets(Human)
Cell line 371 Activities
Plasma 7708 Activities
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Associated Targets(non-human)
RAW264.7 28094 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 344.41 | Molecular Weight (Monoisotopic): 344.1624 | AlogP: 3.94 | #Rotatable Bonds: 7 |
| Polar Surface Area: 68.15 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.91 | CX Basic pKa: | CX LogP: 3.83 | CX LogD: 3.83 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.80 | Np Likeness Score: 1.02 |
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] |
| 2. Ahn BT, Lee S, Lee SB, Lee ES, Kim JG, Bok SH, Jeong TS.. (2001) Low-density lipoprotein-antioxidant constituents of Saururus chinensis., 64 (12): [PMID:11754613] [10.1021/np0006061] |
| 3. Jin Q, Lee JW, Kim JG, Lee D, Hong JT, Kim Y, Lee MK, Hwang BY.. (2019) Lignans from Saururus chinensis with Inhibitory Effects on Nitric Oxide Production., 82 (11): [PMID:31642320] [10.1021/acs.jnatprod.9b00520] |
Source
Source(1):