17-epi-notoamide Q
AlkaPlorer ID: AK054378
Synonym: None
IUPAC Name: (3S,8aS)-3-[[(3S)-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-pyrano[2,3-g]indol-3-yl]methyl]-8a-methoxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
Structure
SMILES: C=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@@]3(OC)CCCN3C2=O)C(=O)NC2=C1C=CC1=C2C=CC(C)(C)O1
InChI: InChI=1S/C27H33N3O5/c1-7-24(2,3)26(15-18-21(31)30-14-8-12-27(30,34-6)23(33)28-18)17-9-10-19-16(20(17)29-22(26)32)11-13-25(4,5)35-19/h7,9-11,13,18H,1,8,12,14-15H2,2-6H3,(H,28,33)(H,29,32)/t18-,26-,27-/m0/s1
InChIKey: OCKJJINPDXBXCN-OALGXETFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 479.5770000000002
TPSA？: 96.97
MolLogP？: 3.126500000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus cereus | Bacillus cereus | GI | nan | None | 10.1021/np300707x |
| Escherichia coli | Escherichia coli | GI | nan | None | 10.1021/np300707x |
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/np300707x |
| Homo sapiens | K562 | IC50 | 10000.0 | nM | 10.1021/np300707x |
| Micrococcus | Micrococcus | GI | nan | None | 10.1021/np300707x |
| Pseudomonas putida | Pseudomonas putida | GI | nan | None | 10.1021/np300707x |
| Staphylococcus aureus | Staphylococcus aureus | GI | nan | None | 10.1021/np300707x |
| Staphylococcus epidermidis | Staphylococcus epidermidis | GI | nan | None | 10.1021/np300707x |
| Vibrio anguillarum | Vibrio anguillarum | GI | nan | None | 10.1021/np300707x |
| Vibrio parahaemolyticus | Vibrio parahaemolyticus | GI | nan | None | 10.1021/np300707x |