Antibiotic 0089D
AlkaPlorer ID: AK288362
Synonym: 5-Methyl-2-[(1-methyl-1H-indol-3-yl)methylene]-3,5-hexadienenitrile
IUPAC Name: (2Z,3E)-5-methyl-2-[(1-methylindol-3-yl)methylidene]hexa-3,5-dienenitrile
Structure
SMILES: C=C(C)/C=C/C(C#N)=C/C1=CN(C)C2=CC=CC=C12
InChI: InChI=1S/C17H16N2/c1-13(2)8-9-14(11-18)10-15-12-19(3)17-7-5-4-6-16(15)17/h4-10,12H,1H2,2-3H3/b9-8+,14-10-
InChIKey: ULSUVNSFRAUVIX-RBDUQRJVSA-N
Reference
PubChem CID: 10220556
CAS: 215876-60-1
LOTUS: LTS0260543
SuperNatural Ⅲ: SN0373780-02
NPASS: NPC150259
{NPAtlas: NPA008973
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia brasiliensis | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 248.329
TPSA？: 28.72
MolLogP？: 4.2175800000000025
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | MIC | 0.39 | ug.mL-1 | 10.1021/np970132e |
| Bacillus subtilis | Bacillus subtilis | MIC | 3.13 | ug.mL-1 | 10.1021/np970132e |
| Candida albicans | Candida albicans | MIC | 25.0 | ug.mL-1 | 10.1021/np970132e |
| Cricetulus griseus | CHO | IC50 | 3.26 | ug.mL-1 | 10.1021/np970132e |
| Cricetulus griseus | CHO | IC50 | 3.43 | ug.mL-1 | 10.1021/np970132e |
| Escherichia coli | Escherichia coli | MIC | 100.0 | ug.mL-1 | 10.1021/np970132e |
| Homo sapiens | KB | IC50 | 0.75 | ug.mL-1 | 10.1021/np970132e |
| Micrococcus luteus | Micrococcus luteus | MIC | 3.13 | ug.mL-1 | 10.1021/np970132e |
| Mus musculus | L1210 | IC50 | 0.25 | ug.mL-1 | 10.1021/np970132e |
| Mus musculus | P388 | IC50 | 0.44 | ug.mL-1 | 10.1021/np970132e |
| Mus musculus | P388 | IC50 | 0.56 | ug.mL-1 | 10.1021/np970132e |
| Mycolicibacterium flavescens | Mycolicibacterium flavescens | MIC | 3.13 | ug.mL-1 | 10.1021/np970132e |
| Mycolicibacterium phlei | Mycolicibacterium phlei | MIC | 1.56 | ug.mL-1 | 10.1021/np970132e |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 0.78 | ug.mL-1 | 10.1021/np970132e |
| Nocardia asteroides | Nocardia asteroides | MIC | 12.5 | ug.mL-1 | 10.1021/np970132e |
| Nocardia brasiliensis | Nocardia brasiliensis | MIC | 25.0 | ug.mL-1 | 10.1021/np970132e |
| Nocardia farcinica | Nocardia farcinica | MIC | 12.5 | ug.mL-1 | 10.1021/np970132e |
| Nocardia nova | Nocardia nova | MIC | 1.56 | ug.mL-1 | 10.1021/np970132e |
| Nocardia otitidiscaviarum | Nocardia otitidiscaviarum | MIC | 6.25 | ug.mL-1 | 10.1021/np970132e |
| Nocardia pseudobrasiliensis | Nocardia pseudobrasiliensis | MIC | 3.13 | ug.mL-1 | 10.1021/np970132e |
| Nocardia transvalensis | Nocardia transvalensis | MIC | 3.13 | ug.mL-1 | 10.1021/np970132e |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 100.0 | ug.mL-1 | 10.1021/np970132e |