4-methylaeruginoic acid
AlkaPlorer ID: AK043048
Synonym: '4-Methylaeruginoic acid', '4-methylaeruginoic acid', '4,5-Dihydro-2-(2-hydroxyphenyl)-4-methylthiazole-4(S)-carboxylic acid'
IUPAC Name: (4S)-2-(2-hydroxyphenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid
Structure
SMILES: C[C@]1(C(=O)O)CSC(C2=CC=CC=C2O)=N1
InChI: InChI=1S/C11H11NO3S/c1-11(10(14)15)6-16-9(12-11)7-4-2-3-5-8(7)13/h2-5,13H,6H2,1H3,(H,14,15)/t11-/m1/s1
InChIKey: OXCVIPGXPILNPT-LLVKDONJSA-N
Reference
A New Cytotoxic Phenylthiazoline, 4-Methylaeruginoic Acid, from Strcptomyces sp. KCTC 9303.
PubChem CID: 135505743
LOTUS: LTS0040499
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 237.28000000000003
TPSA？: 69.89
MolLogP？: 1.7289
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cercopithecidae | Monkey | Efficiency | 13.1 | % | 10.1021/jm990058s |
| Cercopithecidae | Monkey | Efficiency | 21.5 | % | 10.1021/jm990058s |
| Rattus norvegicus | Rattus norvegicus | Efficiency | 2.7 | % | 10.1021/jm990058s |
| None | No relevant target | LogD7.4 | -0.34 | None | 10.1021/jm0508944 |