| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2418234
Max Phase: Preclinical
Molecular Formula: C15H18O8
Molecular Weight: 326.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11+,13+,14+,15-/m1/s1
Standard InChI Key: DDRGILNOFBBNCL-XUGZLYKRSA-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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 326.30 | Molecular Weight (Monoisotopic): 326.1002 | AlogP: -1.13 | #Rotatable Bonds: 3 |
| Polar Surface Area: 147.68 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 6 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.21 | CX Basic pKa: | CX LogP: -0.66 | CX LogD: -0.67 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.23 | Np Likeness Score: 1.94 |
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):