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ID: ALA1817807
Max Phase: Preclinical
Molecular Formula: C14H12O4
Molecular Weight: 244.25
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): (E)-2',3,4,5'-Tetrahydroxystilbene
Synonyms from Alternative Forms(1):
Canonical SMILES: Oc1ccc(O)c(/C=C/c2ccc(O)c(O)c2)c1
Standard InChI: InChI=1S/C14H12O4/c15-11-4-6-12(16)10(8-11)3-1-9-2-5-13(17)14(18)7-9/h1-8,15-18H/b3-1+
Standard InChI Key: COQQOQJEIYYLCB-HNQUOIGGSA-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: 244.25 | Molecular Weight (Monoisotopic): 244.0736 | AlogP: 2.68 | #Rotatable Bonds: 2 |
| Polar Surface Area: 80.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.64 | CX Basic pKa: | CX LogP: 3.10 | CX LogD: 3.07 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.37 | Np Likeness Score: 1.04 |
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):