| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2418228
Max Phase: Preclinical
Molecular Formula: C16H20O7
Molecular Weight: 324.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cccc(/C=C/C(=O)O[C@H]2C[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)c1
Standard InChI: InChI=1S/C16H20O7/c1-22-10-4-2-3-9(7-10)5-6-13(18)23-12-8-11(17)14(19)16(21)15(12)20/h2-7,11-12,14-17,19-21H,8H2,1H3/b6-5+/t11-,12+,14+,15+,16-/m1/s1
Standard InChI Key: LWJJITPVVOLBEV-LRCHXUTISA-N
Associated Targets(non-human)
Sucrase-isomaltase 908 Activities
Acidic alpha-glucosidase 551 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: 324.33 | Molecular Weight (Monoisotopic): 324.1209 | AlogP: -0.53 | #Rotatable Bonds: 4 |
| Polar Surface Area: 116.45 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.62 | CX Basic pKa: | CX LogP: -0.22 | CX LogD: -0.22 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.43 | Np Likeness Score: 1.39 |
References
| 1. Rattanangkool E, Kittikhunnatham P, Damsud T, Wacharasindhu S, Phuwapraisirisan P.. (2013) Quercitylcinnamates, a new series of antidiabetic bioconjugates possessing α-glucosidase inhibition and antioxidant., 66 [PMID:23811091] [10.1016/j.ejmech.2013.05.047] |
Source
Source(1):