Cytochalasin Q
AlkaPlorer ID: AK024580
Synonym: None
IUPAC Name: [(1R,2R,3E,5R,7S,9E,11R,12S,14R,15S,16R,17S)-17-benzyl-5-hydroxy-5,7,14,15-tetramethyl-6,19-dioxo-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadeca-3,9-dien-2-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@@]312
InChI: InChI=1S/C30H37NO6/c1-17-10-9-13-21-26-29(5,37-26)18(2)24-22(16-20-11-7-6-8-12-20)31-27(34)30(21,24)23(36-19(3)32)14-15-28(4,35)25(17)33/h6-9,11-15,17-18,21-24,26,35H,10,16H2,1-5H3,(H,31,34)/b13-9+,15-14+/t17-,18-,21-,22-,23+,24-,26-,28+,29+,30+/m0/s1
InChIKey: XHEQULXTQLICFN-QDNKZWAGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hirsutella sp. | Hirsutella | Ophiocordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Halorosellinia oceanica | Halorosellinia | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 507.6270000000002
TPSA？: 108.72
MolLogP？: 3.9978000000000025
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Amorphotheca resinae | Amorphotheca resinae | Activity | nan | None | 10.1021/np0501536 |
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np0501536 |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np0501536 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np0501536 |
| Homo sapiens | KB | IC50 | 3.0 | ug.mL-1 | 10.1016/s0960-894x(01)00327-4 |
| Mus musculus | P388 | IC50 | 2400.0 | nM | 10.1021/np0501536 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | nan | ug.mL-1 | 10.1016/s0960-894x(01)00327-4 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 17.0 | ug.mL-1 | 10.1016/s0960-894x(01)00327-4 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | Activity | nan | None | 10.1021/np0501536 |
| None | BC1 cell line | IC50 | 1.0 | ug.mL-1 | 10.1016/s0960-894x(01)00327-4 |