Pseurotin
AlkaPlorer ID: AK001481
Synonym: None
IUPAC Name: (5S,8S)-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)C2O
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-BBJHAQHQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pseudeurotium | Pseudeurotiaceae | None | Leotiomycetes | 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 |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 35481.3 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 31622.8 | nM | None |
| Homo sapiens | DNA polymerase beta | Potency | 35481.3 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | DNA polymerase kappa | Potency | 89125.1 | nM | None |
| Homo sapiens | Geminin | Potency | 163.6 | nM | None |
| Homo sapiens | Geminin | Potency | 183.6 | nM | None |
| Homo sapiens | Importin subunit beta-1/Snurportin-1 | Potency | 56234.1 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 39810.7 | nM | None |