Aspochalasinol B
AlkaPlorer ID: AK115447
Synonym: None
IUPAC Name: (1S,5R,9E,11S,14S,15R,16S)-5-hydroxy-13-(hydroxymethyl)-9,14-dimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,6,18-trione
Structure
SMILES: C/C1=C\[C@H]2C=C(CO)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@]32C(=O)CC[C@@H](O)C(=O)CC1
InChI: InChI=1S/C24H35NO5/c1-13(2)9-18-22-15(4)16(12-26)11-17-10-14(3)5-6-19(27)20(28)7-8-21(29)24(17,22)23(30)25-18/h10-11,13,15,17-18,20,22,26,28H,5-9,12H2,1-4H3,(H,25,30)/b14-10+/t15-,17+,18+,20-,22+,24-/m1/s1
InChIKey: WXSOPQHIBDVTDR-IFDOGFRNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus flavipes | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 417.54600000000033
TPSA？: 103.70000000000002
MolLogP？: 2.3374999999999995
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus | Bacillus | Activity | None | None | 10.1021/acs.jnatprod.8b00110 |
| Mus musculus | Murine T-cell line | Inhibition | None | % | 10.1021/acs.jnatprod.8b00110 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/acs.jnatprod.8b00110 |