Endophenazine A
AlkaPlorer ID: AK036151
Synonym: None
IUPAC Name: 9-(3-methylbut-2-enyl)phenazine-1-carboxylic acid
Structure
SMILES: CC(C)=CCC1=CC=CC2=NC3=CC=CC(C(=O)O)=C3N=C12
InChI: InChI=1S/C18H16N2O2/c1-11(2)9-10-12-5-3-7-14-16(12)20-17-13(18(21)22)6-4-8-15(17)19-14/h3-9H,10H2,1-2H3,(H,21,22)
InChIKey: WLQXISHGKXGNFV-UHFFFAOYSA-N
Reference
Mutational analysis of a phenazine biosynthetic gene cluster in <i>Streptomyces anulatus</i> 9663
PubChem CID: 10039975
CAS: 86125-71-5
LOTUS: LTS0192716
SuperNatural Ⅲ: SN0413634
COCONUT: CNP0318062
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces anulatus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 292.338
TPSA？: 63.08
MolLogP？: 3.989900000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | IC50 | 111000.0 | nM | 10.1021/np2009626 |
| Homo sapiens | Acetylcholinesterase | IC50 | 50000.0 | nM | 10.1021/np2009626 |
| None | ADMET | IC50 | 10000.0 | nM | 10.1021/np2009626 |