Strepantibin B
AlkaPlorer ID: AK013659
Synonym: None
IUPAC Name: 2,2-dimethyl-4,7-diphenyl-1,3-benzoxazol-6-one
Structure
SMILES: CC1(C)N=C2C(C3=CC=CC=C3)=CC(=O)C(C3=CC=CC=C3)=C2O1
InChI: InChI=1S/C21H17NO2/c1-21(2)22-19-16(14-9-5-3-6-10-14)13-17(23)18(20(19)24-21)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKey: QUVACELBKBUEBZ-UHFFFAOYSA-N
Reference
PubChem CID: 145720921
LOTUS: LTS0188542
NPASS: NPC485763
COCONUT: CNP0113639
{NPAtlas: NPA025151
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 315.37200000000007
TPSA？: 38.66
MolLogP？: 4.271300000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 12300.0 | nM | 10.1021/acs.jnatprod.8b00821 |
| Homo sapiens | Hexokinase type II | IC50 | 34600.0 | nM | 10.1021/acs.jnatprod.8b00821 |
| Homo sapiens | Hexokinase type II | Km | 290000.0 | nM | 10.1021/acs.jnatprod.8b00821 |
| Homo sapiens | L02 | IC50 | 17600.0 | nM | 10.1021/acs.jnatprod.8b00821 |
| Homo sapiens | PLC-PRF-5 | IC50 | 11600.0 | nM | 10.1021/acs.jnatprod.8b00821 |
| Homo sapiens | SMMC-7721 | IC50 | 4900.0 | nM | 10.1021/acs.jnatprod.8b00821 |