2-Nonene-4,6,8-triynoic acid; (E)-form, 4-Carboxyanilide
AlkaPlorer ID: AK308072
Synonym: 4-[(2-Nonene-4,6,8-triynoyl)amino]benzoic acid
IUPAC Name: 4-[[(E)-non-2-en-4,6,8-triynoyl]amino]benzoic acid
Structure
SMILES: C#CC#CC#C/C=C/C(=O)NC1=CC=C(C(=O)O)C=C1
InChI: InChI=1S/C16H9NO3/c1-2-3-4-5-6-7-8-15(18)17-14-11-9-13(10-12-14)16(19)20/h1,7-12H,(H,17,18)(H,19,20)/b8-7+
InChIKey: ZMNUDGJNLWIUAJ-BQYQJAHWSA-N
Reference
A New Ene-triyne Antibiotic from the Fungus <i>Baeospora </i><i>m</i><i>yosura</i>
PubChem CID: 11391382
CAS: 799798-33-7
LOTUS: LTS0276458
NPASS: NPC242933
{NPAtlas: NPA017749
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Baeospora myosura | Baeospora | Cyphellaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 263.25199999999995
TPSA？: 66.4
MolLogP？: 1.5195
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 32.0 | ug.mL-1 | 10.1021/np0497853 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 0.12 | ug.mL-1 | 10.1021/np0497853 |
| Enterococcus faecium | Enterococcus faecium | MIC | 0.015 | ug.mL-1 | 10.1021/np0497853 |
| Escherichia coli | Escherichia coli | MIC | 32.0 | ug.mL-1 | 10.1021/np0497853 |
| Haemophilus influenzae | Haemophilus influenzae | MIC | 0.5 | ug.mL-1 | 10.1021/np0497853 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 32.0 | ug.mL-1 | 10.1021/np0497853 |
| Priestia megaterium | Priestia megaterium | MIC | 4.0 | ug.mL-1 | 10.1021/np0497853 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 32.0 | ug.mL-1 | 10.1021/np0497853 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.0005 | ug.mL-1 | 10.1021/np0497853 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.001 | ug.mL-1 | 10.1021/np0497853 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 16.0 | ug.mL-1 | 10.1021/np0497853 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 8.0 | ug.mL-1 | 10.1021/np0497853 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 16.0 | ug.mL-1 | 10.1021/np0497853 |
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 0.008 | ug.mL-1 | 10.1021/np0497853 |