Pseurotin A2
AlkaPlorer ID: AK001497
Synonym: None
IUPAC Name: (5S,8R,9S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-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@](OC)(C(=O)C1=CC=CC=C1)[C@H]2O
InChI: InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15-,19-,21+,22-/m0/s1
InChIKey: SLYDIPAXCVVRNY-OZPDKZFZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Phoma sp. NTOU4195 | Phoma | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 431.44100000000014
TPSA？: 145.88
MolLogP？: 0.8430999999999995
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | Activity | 100.1 | % | 10.1021/acs.jnatprod.6b00407 |
| Mus musculus | RAW264.7 | Emax | 78.2 | % | 10.1021/acs.jnatprod.6b00407 |
| Mus musculus | RAW264.7 | IC50 | 40600.0 | nM | 10.1021/acs.jnatprod.6b00407 |
| None | Unchecked | IC50 | 20000.0 | nM | 10.1021/acs.jnatprod.6b00407 |