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PERENNIPORIDE D
ID: ALA2253038
Max Phase: Preclinical
Molecular Formula: C17H20O8
Molecular Weight: 352.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1c(OC)cc2c(c1O)C(=O)C[C@]1(OC)OC(=O)[C@H](O)C[C@@]21O
Standard InChI: InChI=1S/C17H20O8/c1-4-8-12(23-2)5-9-13(14(8)20)10(18)7-17(24-3)16(9,22)6-11(19)15(21)25-17/h5,11,19-20,22H,4,6-7H2,1-3H3/t11-,16-,17+/m1/s1
Standard InChI Key: SEXRKUXABLFHSA-LQAWEQHXSA-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
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 352.34 | Molecular Weight (Monoisotopic): 352.1158 | AlogP: 0.39 | #Rotatable Bonds: 3 |
| Polar Surface Area: 122.52 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.84 | CX Basic pKa: | CX LogP: 1.38 | CX LogD: 1.36 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.67 | Np Likeness Score: 2.32 |
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):