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MUZIGADIAL
ID: ALA513734
Max Phase: Preclinical
Molecular Formula: C16H24O3
Molecular Weight: 264.37
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Muzigadial
Synonyms from Alternative Forms(1):
Canonical SMILES: C[C@H]1CC[C@@]2(C)[C@@H](CC=C(C=O)[C@]2(O)C=O)C1(C)C
Standard InChI: InChI=1S/C16H24O3/c1-11-7-8-15(4)13(14(11,2)3)6-5-12(9-17)16(15,19)10-18/h5,9-11,13,19H,6-8H2,1-4H3/t11-,13-,15-,16+/m0/s1
Standard InChI Key: FTAWFMYQSHJCLA-DLKVLKDVSA-N
Associated Targets(non-human)
Staphylococcus aureus 210822 Activities
Bacillus subtilis 32866 Activities
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Micrococcus luteus 7463 Activities
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Escherichia coli 133304 Activities
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Proteus vulgaris 5823 Activities
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Pseudomonas aeruginosa 123386 Activities
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Saccharomyces cerevisiae 19171 Activities
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Schizosaccharomyces pombe 495 Activities
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Cyberlindnera jadinii 900 Activities
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Sclerotinia 20 Activities
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Mucor mucedo 338 Activities
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Rhizopus microsporus var. chinensis 21 Activities
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Aspergillus niger 16508 Activities
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Penicillium crustosum 31 Activities
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Wickerhamomyces anomalus 305 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: 264.37 | Molecular Weight (Monoisotopic): 264.1725 | AlogP: 2.52 | #Rotatable Bonds: 2 |
| Polar Surface Area: 54.37 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.06 | CX Basic pKa: | CX LogP: 2.23 | CX LogD: 2.23 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.78 | Np Likeness Score: 3.26 |
References
| 1. Kubo I, Taniguchi M.. (1988) Polygodial, an antifungal potentiator., 51 (1): [PMID:3286823] [10.1021/np50055a002] |
| 2. Taniguchi M, Kubo I.. (1993) Ethnobotanical drug discovery based on medicine men's trials in the African savanna: screening of east African plants for antimicrobial activity II., 56 (9): [PMID:8254349] [10.1021/np50099a012] |
Source
Source(1):