| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
FUSARIUMIN
ID: ALA1684400
Max Phase: Preclinical
Molecular Formula: C18H22O5
Molecular Weight: 318.37
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Fusariumin
Synonyms from Alternative Forms(1):
Canonical SMILES: C[C@H](O)C/C=C/CCCCc1cc2cc(O)cc(O)c2c(=O)o1
Standard InChI: InChI=1S/C18H22O5/c1-12(19)7-5-3-2-4-6-8-15-10-13-9-14(20)11-16(21)17(13)18(22)23-15/h3,5,9-12,19-21H,2,4,6-8H2,1H3/b5-3+/t12-/m0/s1
Standard InChI Key: MIICTKRWRNNLEI-PYEVWLCESA-N
Associated Targets(non-human)
Artemia 698 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 318.37 | Molecular Weight (Monoisotopic): 318.1467 | AlogP: 3.24 | #Rotatable Bonds: 7 |
| Polar Surface Area: 90.90 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.43 | CX Basic pKa: | CX LogP: 4.11 | CX LogD: 4.07 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.54 | Np Likeness Score: 2.12 |
References
| 1. Yang SX, Gao JM, Zhang Q, Laatsch H.. (2011) Toxic polyketides produced by Fusarium sp., an endophytic fungus isolated from Melia azedarach., 21 (6): [PMID:21353539] [10.1016/j.bmcl.2010.12.043] |
Source
Source(1):