| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5289805
Max Phase: Preclinical
Molecular Formula: C20H18O4
Molecular Weight: 322.36
Associated Items:
Representations
Canonical SMILES: CC(C)=CCc1c(O)ccc2c1O/C(=C\c1ccc(O)cc1)C2=O
Standard InChI: InChI=1S/C20H18O4/c1-12(2)3-8-15-17(22)10-9-16-19(23)18(24-20(15)16)11-13-4-6-14(21)7-5-13/h3-7,9-11,21-22H,8H2,1-2H3/b18-11-
Standard InChI Key: FUXXTORAZIFFMU-WQRHYEAKSA-N
Associated Targets(Human)
Diacylglycerol O-acyltransferase 1 1719 Activities
Protein-tyrosine phosphatase 1B 8528 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Maltase-glucoamylase 654 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: | 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 |
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Properties
| Molecular Weight: 322.36 | Molecular Weight (Monoisotopic): 322.1205 | AlogP: 4.22 | #Rotatable Bonds: 3 |
| Polar Surface Area: 66.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.44 | CX Basic pKa: | CX LogP: 4.32 | CX LogD: 4.04 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.66 | Np Likeness Score: 1.02 |
References
| 1. Sui G, Li T, Zhang B, Wang R, Hao H, Zhou W.. (2021) Recent advances on synthesis and biological activities of aurones., 29 [PMID:33271454] [10.1016/j.bmc.2020.115895] |
Source
Source(1):