| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4637771
Max Phase: Preclinical
Molecular Formula: C15H12O6
Molecular Weight: 288.25
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(O)cc2c1Oc1cc(O)c(O)c(C)c1C(=O)O2
Standard InChI: InChI=1S/C15H12O6/c1-6-3-8(16)4-11-14(6)20-10-5-9(17)13(18)7(2)12(10)15(19)21-11/h3-5,16-18H,1-2H3
Standard InChI Key: OCRDEHRJPAOPKH-UHFFFAOYSA-N
Associated Targets(Human)
SU.86.86 120 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 288.25 | Molecular Weight (Monoisotopic): 288.0634 | AlogP: 2.75 | #Rotatable Bonds: 0 |
| Polar Surface Area: 96.22 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.30 | CX Basic pKa: | CX LogP: 3.08 | CX LogD: 3.03 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.39 | Np Likeness Score: 1.83 |
References
| 1. van Stuijvenberg J, Proksch P, Fritz G.. (2020) Targeting the DNA damage response (DDR) by natural compounds., 28 (4): [PMID:31980363] [10.1016/j.bmc.2019.115279] |
Source
Source(1):