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PERENNIPORIDE A
ID: ALA2253041
Max Phase: Preclinical
Molecular Formula: C17H18O7
Molecular Weight: 334.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1c(OC)cc2c(c1O)C(=O)C=C(OC)[C@@]21C[C@@H](O)C(=O)O1
Standard InChI: InChI=1S/C17H18O7/c1-4-8-12(22-2)5-9-14(15(8)20)10(18)6-13(23-3)17(9)7-11(19)16(21)24-17/h5-6,11,19-20H,4,7H2,1-3H3/t11-,17-/m1/s1
Standard InChI Key: UKDUEMGCYIGYBD-PIGZYNQJSA-N
Associated Targets(non-human)
Alternaria longipes 5 Activities
Fusarium oxysporum 3998 Activities
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Fusarium graminearum 1554 Activities
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Verticillium albo-atrum 12 Activities
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Fusarium verticillioides 912 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: 334.32 | Molecular Weight (Monoisotopic): 334.1053 | AlogP: 1.19 | #Rotatable Bonds: 3 |
| Polar Surface Area: 102.29 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.87 | CX Basic pKa: | CX LogP: 1.44 | CX LogD: 1.43 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.80 | Np Likeness Score: 2.39 |
References
| 1. Feng Y, Wang L, Niu S, Li L, Si Y, Liu X, Che Y.. (2012) Naphthalenones from a Perenniporia sp. inhabiting the larva of a phytophagous weevil, Euops chinesis., 75 (7): [PMID:22731892] [10.1021/np300263u] |
Source
Source(1):