3-(2’-hydroxy-3’-oxo-4’-methyl-pentyl)-indole
AlkaPlorer ID: AK059027
Synonym: None
IUPAC Name: 2-hydroxy-1-(1H-indol-3-yl)-4-methylpentan-3-one
Structure
SMILES: CC(C)C(=O)C(O)CC1=CNC2=CC=CC=C12
InChI: InChI=1S/C14H17NO2/c1-9(2)14(17)13(16)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,8-9,13,15-16H,7H2,1-2H3
InChIKey: AWOMKVFSCPBMJX-UHFFFAOYSA-N
Reference
Biosynthesis of the Insecticidal Xenocyloins in <i>Xenorhabdus bovienii</i>
PubChem CID: 15285579
CAS: 161889-68-5
LOTUS: LTS0002001
COCONUT: CNP0148003
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus bovienii | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 231.295
TPSA？: 53.09
MolLogP？: 2.2964
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | MIC | 80.0 | ug.mL-1 | 10.1016/j.bmcl.2010.08.003 |
| Aspergillus flavus | Aspergillus flavus | MIC | 100.0 | ug.mL-1 | 10.1021/np50121a016 |
| Aspergillus fumigatus | Aspergillus fumigatus | MIC | 100.0 | ug.mL-1 | 10.1021/np50121a016 |
| Bacillus anthracis | Bacillus anthracis | MIC | 80.0 | ug.mL-1 | 10.1016/j.bmcl.2010.08.003 |
| Bacillus subtilis | Bacillus subtilis | MIC | 80.0 | ug.mL-1 | 10.1016/j.bmcl.2010.08.003 |
| Botrytis cinerea | Botrytis cinerea | MIC | 12.0 | ug.mL-1 | 10.1021/np50121a016 |
| Burkholderia cepacia | Burkholderia cepacia | MIC | 80.0 | ug.mL-1 | 10.1016/j.bmcl.2010.08.003 |
| Candida tropicalis | Candida tropicalis | MIC | 100.0 | ug.mL-1 | 10.1021/np50121a016 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 100.0 | ug.mL-1 | 10.1021/np50121a016 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 80.0 | ug.mL-1 | 10.1016/j.bmcl.2010.08.003 |
| Escherichia coli | Escherichia coli | MIC | 80.0 | ug.mL-1 | 10.1016/j.bmcl.2010.08.003 |
| Globisporangium ultimum | Globisporangium ultimum | MIC | 100.0 | ug.mL-1 | 10.1021/np50121a016 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 80.0 | ug.mL-1 | 10.1016/j.bmcl.2010.08.003 |
| Phytophthora infestans | Phytophthora infestans | MIC | 50.0 | ug.mL-1 | 10.1021/np50121a016 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 80.0 | ug.mL-1 | 10.1016/j.bmcl.2010.08.003 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 80.0 | ug.mL-1 | 10.1016/j.bmcl.2010.08.003 |
| Stenotrophomonas maltophilia | Stenotrophomonas maltophilia | MIC | 80.0 | ug.mL-1 | 10.1016/j.bmcl.2010.08.003 |