Pseurotin F2
AlkaPlorer ID: AK001418
Synonym: None
IUPAC Name: (5S,8S,9R)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-8,9-dihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Structure
SMILES: CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(O)=N[C@@](O)(C(=O)C1=CC=CC=C1)[C@@H]2O
InChI: InChI=1S/C21H23NO8/c1-3-4-10-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29,22-19(20)28)17(26)12-8-6-5-7-9-12/h4-10,13-14,18,23-24,27,29H,3H2,1-2H3,(H,22,28)/b10-4-/t13-,14-,18+,20+,21+/m0/s1
InChIKey: BCXXBFMWUYYHIF-BJBAUCALSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 417.4140000000001
TPSA？: 156.88
MolLogP？: 0.1889999999999996
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 10000.0 | nM | 10.1016/j.bmcl.2009.01.029 |