Eudistomin E
AlkaPlorer ID: AK032346
Synonym: None
IUPAC Name: (2S,3S)-3-amino-13-bromo-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol
Structure
SMILES: N[C@@H]1CSCON2CCC3=C(NC4=C3C(Br)=C(O)C=C4)[C@H]12
InChI: InChI=1S/C14H16BrN3O2S/c15-12-10(19)2-1-9-11(12)7-3-4-18-14(13(7)17-9)8(16)5-21-6-20-18/h1-2,8,14,17,19H,3-6,16H2/t8-,14+/m1/s1
InChIKey: CWYSYORNQMPRTH-CLAHSXSESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vepris stolzii | Vepris | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ascochyta fabae | Ascochyta | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 370.2720000000001
TPSA？: 74.51
MolLogP？: 2.4984
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | Activity | 100.0 | % | 10.1021/np50082a025 |
| Homo sapiens | KB | ED50 | 5.0 | ng/ml | 10.1021/np50082a025 |
| Micrococcus luteus | Micrococcus luteus | IZ | 46.0 | mm | 10.1021/acs.jnatprod.7b00575 |
| Mus musculus | L1210 | Activity | 100.0 | % | 10.1021/acs.jnatprod.7b00575 |