| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5273798
Max Phase: Preclinical
Molecular Formula: C17H14O7
Molecular Weight: 330.29
Associated Items:
Representations
Canonical SMILES: COc1cc(O)c2c(c1)C1(C=C(OC(C)=O)C(=O)C=C1C)OC2=O
Standard InChI: InChI=1S/C17H14O7/c1-8-4-12(19)14(23-9(2)18)7-17(8)11-5-10(22-3)6-13(20)15(11)16(21)24-17/h4-7,20H,1-3H3
Standard InChI Key: CBPBPEKVTIEYJX-UHFFFAOYSA-N
Associated Targets(Human)
DNA polymerase alpha subunit 225 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 330.29 | Molecular Weight (Monoisotopic): 330.0740 | AlogP: 1.74 | #Rotatable Bonds: 2 |
| Polar Surface Area: 99.13 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.43 | CX Basic pKa: | CX LogP: 2.20 | CX LogD: 2.20 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.82 | Np Likeness Score: 1.62 |
References
| 1. Chen C, He L.. (2020) Advances in research of spirodienone and its derivatives: Biological activities and synthesis methods., 203 [PMID:32698113] [10.1016/j.ejmech.2020.112577] |
Source
Source(1):