Boseongazepine B
AlkaPlorer ID: AK017899
Synonym: None
IUPAC Name: (6aS,8E)-8-ethylidene-4-methoxy-5,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Structure
SMILES: C/C=C1\C[C@H]2C(O)=NC3=C(C=CC=C3OC)C(=O)N2C1
InChI: InChI=1S/C15H16N2O3/c1-3-9-7-11-14(18)16-13-10(15(19)17(11)8-9)5-4-6-12(13)20-2/h3-6,11H,7-8H2,1-2H3,(H,16,18)/b9-3+/t11-/m0/s1
InChIKey: DHXUSEYFJTWOSE-BWLWAFFFSA-N
Reference
Boseongazepines A–C, pyrrolobenzodiazepine derivatives from a Streptomyces sp. 11A057
PubChem CID: 90669959
LOTUS: LTS0044027
NPASS: NPC270301
{NPAtlas: NPA013967
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: 272.30400000000003
TPSA？: 62.13000000000001
MolLogP？: 2.4576
Number of H-Donors: 1
Number of H-Acceptors: 3
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 | 100000.0 | 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 | 100000.0 | 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 |