| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Isomangiferin
ID: ALA5271914
Chembl Id: CHEMBL5271914
Max Phase: Preclinical
Molecular Formula: C19H18O11
Molecular Weight: 422.34
Associated Items:
Names and Identifiers
Canonical SMILES: O=c1c2cc(O)c(O)cc2oc2c([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc(O)c12
Standard InChI: InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2/t11-,15-,16+,17-,19+/m0/s1
Standard InChI Key: CDYBOKJASDEORM-BFFWTCCHSA-N
Alternative Forms
Associated Targets(Human)
MGAM Tclin Alpha glucosidase (860 Activities)
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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 |
|---|
Calculated Properties
| Molecular Weight: 422.34 | Molecular Weight (Monoisotopic): 422.0849 | AlogP: -0.72 | #Rotatable Bonds: 2 |
| Polar Surface Area: 201.28 | Molecular Species: NEUTRAL | HBA: 11 | HBD: 8 |
| #RO5 Violations: 2 | HBA (Lipinski): 11 | HBD (Lipinski): 8 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 7.00 | CX Basic pKa: | CX LogP: -0.36 | CX LogD: -1.04 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.19 | Np Likeness Score: 2.06 |
References
| 1. Santos CMM, Freitas M, Fernandes E.. (2018) A comprehensive review on xanthone derivatives as α-glucosidase inhibitors., 157 [PMID:30282319] [10.1016/j.ejmech.2018.07.073] |
Source
Source(1):