Endophenazine B
AlkaPlorer ID: AK043822
Synonym: None
IUPAC Name: 5-methyl-9-(3-methylbut-2-enyl)-7-oxophenazine-1-carboxylic acid
Structure
SMILES: CC(C)=CCC1=CC(=O)C=C2C1=NC1=C(C(=O)O)C=CC=C1N2C
InChI: InChI=1S/C19H18N2O3/c1-11(2)7-8-12-9-13(22)10-16-17(12)20-18-14(19(23)24)5-4-6-15(18)21(16)3/h4-7,9-10H,8H2,1-3H3,(H,23,24)
InChIKey: CIWWONHFDUMHHK-UHFFFAOYSA-N
Reference
PubChem CID: 9973416
CAS: 479415-40-2
LOTUS: LTS0119181
SuperNatural Ⅲ: SN0046939
COCONUT: CNP0285751
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces anulatus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 322.36400000000003
TPSA？: 72.19
MolLogP？: 3.2452000000000014
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np100818d |
| Bacillus subtilis | Bacillus subtilis | IC50 | 150000.0 | nM | 10.1021/np2009626 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np100818d |
| Homo sapiens | Acetylcholinesterase | IC50 | 50000.0 | nM | 10.1021/np2009626 |
| Rhizomucor miehei | Rhizomucor miehei | Activity | nan | None | 10.1021/np100818d |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np100818d |
| None | ADMET | IC50 | 50000.0 | nM | 10.1021/np2009626 |