| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1817808
Max Phase: Preclinical
Molecular Formula: C15H14O4
Molecular Weight: 258.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(/C=C/c2cc(O)ccc2O)cc1O
Standard InChI: InChI=1S/C15H14O4/c1-19-15-7-3-10(8-14(15)18)2-4-11-9-12(16)5-6-13(11)17/h2-9,16-18H,1H3/b4-2+
Standard InChI Key: XDRRBFSAHVUUON-DUXPYHPUSA-N
Associated Targets(non-human)
Enterobacter cloacae subsp. dissolvens 32 Activities
NIH3T3 5395 Activities
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 258.27 | Molecular Weight (Monoisotopic): 258.0892 | AlogP: 2.98 | #Rotatable Bonds: 3 |
| Polar Surface Area: 69.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.00 | CX Basic pKa: | CX LogP: 3.24 | CX LogD: 3.23 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.58 | Np Likeness Score: 0.95 |
References
| 1. Albert S, Horbach R, Deising HB, Siewert B, Csuk R.. (2011) Synthesis and antimicrobial activity of (E) stilbene derivatives., 19 (17): [PMID:21803587] [10.1016/j.bmc.2011.07.015] |
Source
Source(1):