Boseongazepine A
AlkaPlorer ID: AK013024
Synonym: None
IUPAC Name: (6aS)-8-acetyl-4-methoxy-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Structure
SMILES: COC1=CC=CC2=C1NC[C@@H]1CC(C(C)=O)=CN1C2=O
InChI: InChI=1S/C15H16N2O3/c1-9(18)10-6-11-7-16-14-12(15(19)17(11)8-10)4-3-5-13(14)20-2/h3-5,8,11,16H,6-7H2,1-2H3/t11-/m0/s1
InChIKey: LCCQQLMYXVRWOK-NSHDSACASA-N
Reference
Boseongazepines A–C, pyrrolobenzodiazepine derivatives from a Streptomyces sp. 11A057
PubChem CID: 90669958
LOTUS: LTS0235081
NPASS: NPC87391
{NPAtlas: NPA003265
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: 272.304
TPSA？: 58.64
MolLogP？: 1.8081
Number of H-Donors: 1
Number of H-Acceptors: 4
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 | 56100.0 | nM | 10.1016/j.bmcl.2014.02.022 |
| Homo sapiens | HL-60 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2014.02.022 |
| Homo sapiens | Jurkat | IC50 | 72000.0 | nM | 10.1016/j.bmcl.2014.02.022 |
| Homo sapiens | K562 | IC50 | 100000.0 | 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 |