Labradorin 1
AlkaPlorer ID: AK009231
Synonym: None
IUPAC Name: 5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole
Structure
SMILES: CC(C)CC1=NC=C(C2=CNC3=CC=CC=C23)O1
InChI: InChI=1S/C15H16N2O/c1-10(2)7-15-17-9-14(18-15)12-8-16-13-6-4-3-5-11(12)13/h3-6,8-10,16H,7H2,1-2H3
InChIKey: DJGNEEKCRPWTKI-UHFFFAOYSA-N
Reference
Isolation of Labradorins 1 and 2 from <i>Pseudomonas syringae</i> pv. <i>coronafaciens</i>
PubChem CID: 637460
LOTUS: LTS0047253
COCONUT: CNP0224672
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas syringae | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 240.306
TPSA？: 41.82
MolLogP？: 4.0214000000000025
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np020173x |
| Cryptococcus neoformans | Cryptococcus neoformans | Activity | nan | None | 10.1021/np020173x |
| Enterobacter cloacae | Enterobacter cloacae | Activity | nan | None | 10.1021/np020173x |
| Enterococcus faecalis | Enterococcus faecalis | Activity | nan | None | 10.1021/np020173x |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np020173x |
| Homo sapiens | BXPC-3 | GI50 | 6.2 | ug.mL-1 | 10.1021/np020173x |
| Homo sapiens | DU-145 | GI50 | 4.0 | ug.mL-1 | 10.1021/np020173x |
| Homo sapiens | KM-20L2 | GI50 | 3.5 | ug.mL-1 | 10.1021/np020173x |
| Homo sapiens | MCF7 | GI50 | 3.9 | ug.mL-1 | 10.1021/np020173x |
| Homo sapiens | NCI-H460 | GI50 | 9.8 | ug.mL-1 | 10.1021/np020173x |
| Homo sapiens | SF-268 | GI50 | 5.1 | ug.mL-1 | 10.1021/np020173x |
| Micrococcus luteus | Micrococcus luteus | Activity | nan | None | 10.1021/np020173x |
| Neisseria gonorrhoeae | Neisseria gonorrhoeae | Activity | nan | None | 10.1021/np020173x |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np020173x |
| Stenotrophomonas maltophilia | Stenotrophomonas maltophilia | Activity | nan | None | 10.1021/np020173x |
| Streptococcus pneumoniae | Streptococcus pneumoniae | Activity | nan | None | 10.1021/np020173x |