| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2417559
Max Phase: Preclinical
Molecular Formula: C17H22O8
Molecular Weight: 354.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(/C=C/C(=O)O[C@H]2C[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)cc1OC
Standard InChI: InChI=1S/C17H22O8/c1-23-11-5-3-9(7-12(11)24-2)4-6-14(19)25-13-8-10(18)15(20)17(22)16(13)21/h3-7,10,13,15-18,20-22H,8H2,1-2H3/b6-4+/t10-,13+,15+,16+,17-/m1/s1
Standard InChI Key: CJMFTXHQHREZGX-UPSTZPMTSA-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 |
|---|
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: 354.36 | Molecular Weight (Monoisotopic): 354.1315 | AlogP: -0.52 | #Rotatable Bonds: 5 |
| Polar Surface Area: 125.68 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.62 | CX Basic pKa: | CX LogP: -0.37 | CX LogD: -0.37 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.41 | Np Likeness Score: 1.45 |
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):