| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2418236
Max Phase: Preclinical
Molecular Formula: C16H20O8
Molecular Weight: 340.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(/C=C/C(=O)O[C@H]2C[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)ccc1O
Standard InChI: InChI=1S/C16H20O8/c1-23-11-6-8(2-4-9(11)17)3-5-13(19)24-12-7-10(18)14(20)16(22)15(12)21/h2-6,10,12,14-18,20-22H,7H2,1H3/b5-3+/t10-,12+,14+,15+,16-/m1/s1
Standard InChI Key: IQPUWQFQDKVXMD-JSQVHEIESA-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: 340.33 | Molecular Weight (Monoisotopic): 340.1158 | AlogP: -0.83 | #Rotatable Bonds: 4 |
| Polar Surface Area: 136.68 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.87 | CX Basic pKa: | CX LogP: -0.52 | CX LogD: -0.52 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.35 | Np Likeness Score: 1.79 |
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):