Cyanogramide
AlkaPlorer ID: AK065970
Synonym: None
IUPAC Name: (3R,3'S)-3'-methoxy-1,3'-dimethyl-2'-[(E)-2-phenylethenyl]spiro[indole-3,6'-pyrrolo[1,2-c]imidazole]-1',2,5'-trione
Structure
SMILES: CO[C@@]1(C)N(/C=C/C2=CC=CC=C2)C(=O)C2=C[C@@]3(C(=O)N(C)C4=CC=CC=C43)C(=O)N21
InChI: InChI=1S/C24H21N3O4/c1-23(31-3)26(14-13-16-9-5-4-6-10-16)20(28)19-15-24(22(30)27(19)23)17-11-7-8-12-18(17)25(2)21(24)29/h4-15H,1-3H3/b14-13+/t23-,24+/m0/s1
InChIKey: PLQBGVIHNRFEKK-FGTQWKHKSA-N
Reference
PubChem CID: 102143687
LOTUS: LTS0084546
NPASS: NPC487828
{NPAtlas: NPA006265
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Actinoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 415.4490000000001
TPSA？: 70.16
MolLogP？: 2.4601000000000006
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/acs.jnatprod.0c00588 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/acs.jnatprod.0c00588 |
| Homo sapiens | A549 | Activity | 50.0 | % | 10.1016/j.bmcl.2021.127915 |
| Homo sapiens | A549 | IC50 | 38400.0 | nM | 10.1016/j.bmcl.2021.127915 |
| Homo sapiens | NCI-H157 | Activity | 50.0 | % | 10.1016/j.bmcl.2021.127915 |
| Homo sapiens | NCI-H157 | IC50 | 8100.0 | nM | 10.1016/j.bmcl.2021.127915 |
| Homo sapiens | U-251 | IC50 | 5800.0 | nM | 10.1021/acs.jnatprod.0c00588 |
| Homo sapiens | U-87 MG | IC50 | 7200.0 | nM | 10.1021/acs.jnatprod.0c00588 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/acs.jnatprod.0c00588 |