(+)-(S)-Dihydroaeruginoic acid
AlkaPlorer ID: AK098456
Synonym: None
IUPAC Name: (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Structure
SMILES: O=C(O)[C@H]1CSC(C2=CC=CC=C2O)=N1
InChI: InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m1/s1
InChIKey: CECDPVOEINSAQG-SSDOTTSWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas fluorescens | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 223.25300000000004
TPSA？: 69.89
MolLogP？: 1.3387999999999998
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Athelia rolfsii | Athelia rolfsii | Activity | 32.0 | % | 10.1021/np50111a002 |
| Athelia rolfsii | Athelia rolfsii | Activity | 53.0 | % | 10.1021/np50111a002 |
| Bacillus subtilis | Bacillus subtilis | IZ | 10.8 | mm | 10.1021/np50111a002 |
| Bacillus subtilis | Bacillus subtilis | IZ | 13.3 | mm | 10.1021/np50111a002 |
| Botrytis cinerea | Botrytis cinerea | Activity | 27.0 | % | 10.1021/np50111a002 |
| Botrytis cinerea | Botrytis cinerea | Activity | 43.0 | % | 10.1021/np50111a002 |
| Cercopithecidae | Monkey | Efficiency | 12.4 | % | 10.1021/jm980340j |
| Cercopithecidae | Monkey | Efficiency | 12.4 | % | 10.1021/jm990058s |
| Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | Activity | 8.0 | % | 10.1021/np50111a002 |
| Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | Activity | 10.0 | % | 10.1021/np50111a002 |
| Fusarium oxysporum | Fusarium oxysporum | Activity | 8.0 | % | 10.1021/np50111a002 |
| Fusarium oxysporum | Fusarium oxysporum | Activity | 15.0 | % | 10.1021/np50111a002 |
| Globisporangium ultimum | Globisporangium ultimum | Activity | 22.0 | % | 10.1021/np50111a002 |
| Globisporangium ultimum | Globisporangium ultimum | Activity | 43.0 | % | 10.1021/np50111a002 |
| Pantoea agglomerans | Pantoea agglomerans | IZ | 6.7 | mm | 10.1021/np50111a002 |
| Pantoea agglomerans | Pantoea agglomerans | IZ | 8.7 | mm | 10.1021/np50111a002 |
| Pseudomonas fluorescens | Pseudomonas fluorescens | IZ | 0.0 | mm | 10.1021/np50111a002 |
| Rattus norvegicus | Rattus norvegicus | Efficiency | 1.4 | % | 10.1021/jm980340j |
| Rattus norvegicus | Rattus norvegicus | Efficiency | 1.4 | % | 10.1021/jm990058s |
| Rattus norvegicus | Rattus norvegicus | No. of deaths | nan | None | 10.1021/jm980340j |
| Rhizoctonia solani | Rhizoctonia solani | Activity | 1.0 | % | 10.1021/np50111a002 |
| Rhizoctonia solani | Rhizoctonia solani | Activity | 5.0 | % | 10.1021/np50111a002 |
| Staphylococcus | Staphylococcus | IZ | 20.2 | mm | 10.1021/np50111a002 |
| Staphylococcus | Staphylococcus | IZ | 26.2 | mm | 10.1021/np50111a002 |
| Zymoseptoria tritici | Zymoseptoria tritici | IZ | 0.0 | mm | 10.1021/np50111a002 |
| Zymoseptoria tritici | Zymoseptoria tritici | IZ | 13.0 | mm | 10.1021/np50111a002 |
| None | No relevant target | K app | 0.12 | None | 10.1021/jm980340j |
| None | No relevant target | LogD | -0.93 | None | 10.1021/jm980340j |
| None | No relevant target | LogD7.4 | -0.93 | None | 10.1021/jm0508944 |