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PERENNIPORIDE B
ID: ALA2253040
Max Phase: Preclinical
Molecular Formula: C18H22O8
Molecular Weight: 366.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1c(OC)cc2c(c1O)C(=O)C=C(OC)[C@@]2(O)C[C@@H](O)C(=O)OC
Standard InChI: InChI=1S/C18H22O8/c1-5-9-13(24-2)6-10-15(16(9)21)11(19)7-14(25-3)18(10,23)8-12(20)17(22)26-4/h6-7,12,20-21,23H,5,8H2,1-4H3/t12-,18-/m1/s1
Standard InChI Key: WZZOARZEYMJHRI-KZULUSFZSA-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: 366.37 | Molecular Weight (Monoisotopic): 366.1315 | AlogP: 0.80 | #Rotatable Bonds: 6 |
| 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: 8.88 | CX Basic pKa: | CX LogP: 0.92 | CX LogD: 0.91 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.63 | Np Likeness Score: 1.97 |
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):