| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4441598
Max Phase: Preclinical
Molecular Formula: C24H30O7
Molecular Weight: 430.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)CC(C)C
Standard InChI: InChI=1S/C24H30O7/c1-13(2)11-18(26)29-22-20-16(9-7-15-8-10-17(25)28-21(15)20)31-24(5,6)23(22)30-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3/t22-,23-/m1/s1
Standard InChI Key: LJYPJWICCCIAKW-DHIUTWEWSA-N
Associated Targets(Human)
Alpha glucosidase 860 Activities
Associated Targets(non-human)
3T3-L1 3664 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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5'-AMP-activated protein kinase 31 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 430.50 | Molecular Weight (Monoisotopic): 430.1992 | AlogP: 4.55 | #Rotatable Bonds: 6 |
| Polar Surface Area: 92.04 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.56 | CX LogD: 4.56 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.49 | Np Likeness Score: 1.73 |
References
| 1. Choi RY, Nam SJ, Ham JR, Lee HI, Yee ST, Kang KY, Seo KI, Lee JH, Kim MJ, Lee MK.. (2016) Anti-adipogenic and anti-diabetic effects of cis-3',4'-diisovalerylkhellactone isolated from Peucedanum japonicum Thunb leaves in vitro., 26 (19): [PMID:27575482] [10.1016/j.bmcl.2016.08.056] |
Source
Source(1):