Boseongazepine C
AlkaPlorer ID: AK019097
Synonym: None
IUPAC Name: (6aS,8E)-8-ethylidene-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Structure
SMILES: C/C=C1\C[C@H]2CNC3=CC=CC=C3C(=O)N2C1
InChI: InChI=1S/C14H16N2O/c1-2-10-7-11-8-15-13-6-4-3-5-12(13)14(17)16(11)9-10/h2-6,11,15H,7-9H2,1H3/b10-2+/t11-/m0/s1
InChIKey: RGXMIGRSOBLYSW-KJQCOJPZSA-N
Reference
Boseongazepines A–C, pyrrolobenzodiazepine derivatives from a Streptomyces sp. 11A057
PubChem CID: 90669960
LOTUS: LTS0139561
NPASS: NPC162417
{NPAtlas: NPA011433
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 228.295
TPSA？: 32.34
MolLogP？: 2.2729
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | GI | nan | None | 10.1016/j.bmcl.2014.02.022 |
| Bacillus subtilis | Bacillus subtilis | GI | nan | None | 10.1016/j.bmcl.2014.02.022 |
| Candida albicans | Candida albicans | GI | nan | None | 10.1016/j.bmcl.2014.02.022 |
| Escherichia coli | Escherichia coli | GI | nan | None | 10.1016/j.bmcl.2014.02.022 |
| Homo sapiens | HepG2 | IC50 | 68900.0 | nM | 10.1016/j.bmcl.2014.02.022 |
| Homo sapiens | HL-60 | IC50 | 64500.0 | nM | 10.1016/j.bmcl.2014.02.022 |
| Homo sapiens | Jurkat | IC50 | 23900.0 | nM | 10.1016/j.bmcl.2014.02.022 |
| Homo sapiens | K562 | IC50 | 58800.0 | nM | 10.1016/j.bmcl.2014.02.022 |
| Salinivibrio costicola | Salinivibrio costicola | GI | nan | None | 10.1016/j.bmcl.2014.02.022 |
| Staphylococcus aureus | Staphylococcus aureus | GI | nan | None | 10.1016/j.bmcl.2014.02.022 |