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EUTYPOID E
ID: ALA1669588
Max Phase: Preclinical
Molecular Formula: C17H14O6
Molecular Weight: 314.29
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Eutypoid E
Synonyms from Alternative Forms(1):
Canonical SMILES: O=C1OCC(Cc2ccc(O)c(O)c2)=C1c1cc(O)cc(O)c1
Standard InChI: InChI=1S/C17H14O6/c18-12-5-10(6-13(19)7-12)16-11(8-23-17(16)22)3-9-1-2-14(20)15(21)4-9/h1-2,4-7,18-21H,3,8H2
Standard InChI Key: BMROQCPWMNUZGZ-UHFFFAOYSA-N
Associated Targets(Human)
Glycogen synthase kinase-3 beta 11785 Activities
HepG2 196354 Activities
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HT-29 80576 Activities
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Associated Targets(non-human)
Bacillus subtilis 32866 Activities
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Erwinia amylovora 182 Activities
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Escherichia coli 133304 Activities
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Pseudomonas fluorescens 1630 Activities
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Cutibacterium acnes 887 Activities
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Pseudomonas aeruginosa 123386 Activities
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Ralstonia solanacearum 520 Activities
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Staphylococcus epidermidis 22802 Activities
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Mammaliicoccus lentus 29 Activities
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Xanthomonas campestris 200 Activities
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Nakaseomyces glabratus 9108 Activities
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Zymoseptoria tritici 367 Activities
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Molecule Features
| Natural Product: Yes | 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: 314.29 | Molecular Weight (Monoisotopic): 314.0790 | AlogP: 2.06 | #Rotatable Bonds: 3 |
| Polar Surface Area: 107.22 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.74 | CX Basic pKa: | CX LogP: 2.81 | CX LogD: 2.79 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.51 | Np Likeness Score: 1.58 |
References
| 1. Schulz D, Ohlendorf B, Zinecker H, Schmaljohann R, Imhoff JF.. (2011) Eutypoids B-E produced by a Penicillium sp. strain from the North Sea., 74 (1): [PMID:21126094] [10.1021/np100633k] |
Source
Source(1):