Isariotin A
AlkaPlorer ID: AK035537
Synonym: None
IUPAC Name: (E)-12-hydroxy-N-[(1S,2S,4S,5S,6S,7R,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]dodec-2-enamide
Structure
SMILES: O=C1[C@@H]2[C@H](O)[C@@H]3O[C@@H]3[C@@]1(O)C[C@H](N=C(O)/C=C/CCCCCCCCCO)[C@@H]2O
InChI: InChI=1S/C21H33NO7/c23-11-9-7-5-3-1-2-4-6-8-10-14(24)22-13-12-21(28)19(27)15(16(13)25)17(26)18-20(21)29-18/h8,10,13,15-18,20,23,25-26,28H,1-7,9,11-12H2,(H,22,24)/b10-8+/t13-,15-,16-,17-,18-,20-,21+/m0/s1
InChIKey: XLHWNLUVIQKZKV-ROFFREJHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Isaria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 411.4950000000004
TPSA？: 143.11
MolLogP？: 0.8036999999999987
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np070291q |
| Chlorocebus sabaeus | Vero | Activity | nan | None | 10.1021/np070291q |
| Homo sapiens | KB | Activity | nan | None | 10.1021/np070291q |
| Homo sapiens | NCI-H187 | Activity | nan | None | 10.1021/np070291q |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 486000.0 | nM | 10.1021/np070291q |
| Plasmodium falciparum | Plasmodium falciparum | Activity | nan | None | 10.1021/np070291q |
| Pyricularia grisea | Pyricularia grisea | Activity | nan | None | 10.1021/np070291q |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np070291q |