| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Dehydroglyasperin D
ID: ALA5316206
Chembl Id: CHEMBL5316206
Max Phase: Preclinical
Molecular Formula: C22H24O5
Molecular Weight: 368.43
Associated Items:
Names and Identifiers
Canonical SMILES: COc1cc2c(c(OC)c1CC=C(C)C)C=C(c1ccc(O)cc1O)CO2
Standard InChI: InChI=1S/C22H24O5/c1-13(2)5-7-17-20(25-3)11-21-18(22(17)26-4)9-14(12-27-21)16-8-6-15(23)10-19(16)24/h5-6,8-11,23-24H,7,12H2,1-4H3
Standard InChI Key: QHJJASRUTXHRAL-UHFFFAOYSA-N
Alternative Forms
Associated Targets(Human)
TYR Tclin Tyrosinase (717 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: 368.43 | Molecular Weight (Monoisotopic): 368.1624 | AlogP: 4.56 | #Rotatable Bonds: 5 |
| Polar Surface Area: 68.15 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 8.76 | CX Basic pKa: ┄ | CX LogP: 4.50 | CX LogD: 4.48 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.76 | Np Likeness Score: 2.12 |
References
| 1. Ji S, Li Z, Song W, Wang Y, Liang W, Li K, Tang S, Wang Q, Qiao X, Zhou D, Yu S, Ye M.. (2016) Bioactive Constituents of Glycyrrhiza uralensis (Licorice): Discovery of the Effective Components of a Traditional Herbal Medicine., 79 (2): [PMID:26841168] [10.1021/acs.jnatprod.5b00877] |
Source
Source(1):