Fimsbactin C
| Internal ID | 311bd4fd-0a94-49ae-9293-7a502470a53d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | [(2R,3S)-4-[4-[acetyl(hydroxy)amino]butylamino]-3-[[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-4-oxobutan-2-yl] 2,3-dihydroxybenzoate |
| SMILES (Canonical) | CC1C(N=C(O1)C2=C(C(=CC=C2)O)O)C(=O)NC(C(C)OC(=O)C3=C(C(=CC=C3)O)O)C(=O)NCCCCN(C(=O)C)O |
| SMILES (Isomeric) | C[C@@H]1[C@H](N=C(O1)C2=C(C(=CC=C2)O)O)C(=O)N[C@@H]([C@@H](C)OC(=O)C3=C(C(=CC=C3)O)O)C(=O)NCCCCN(C(=O)C)O |
| InChI | InChI=1S/C28H34N4O11/c1-14-22(31-27(42-14)17-8-6-10-19(34)23(17)36)26(39)30-21(25(38)29-12-4-5-13-32(41)16(3)33)15(2)43-28(40)18-9-7-11-20(35)24(18)37/h6-11,14-15,21-22,34-37,41H,4-5,12-13H2,1-3H3,(H,29,38)(H,30,39)/t14-,15-,21+,22+/m1/s1 |
| InChI Key | RUWXGLOMCAWQQD-SDVFQCAASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H34N4O11 |
| Molecular Weight | 602.60 g/mol |
| Exact Mass | 602.22240791 g/mol |
| Topological Polar Surface Area (TPSA) | 228.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.72% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.58% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.00% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.98% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.08% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.82% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.93% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.14% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.64% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.50% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.89% | 90.08% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.50% | 81.11% |
| CHEMBL5028 | O14672 | ADAM10 | 86.13% | 97.50% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.89% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.98% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.70% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.63% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.48% | 96.90% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.29% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.12% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.80% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.70% | 93.10% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.28% | 98.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139586811 |
| LOTUS | LTS0130597 |
| wikiData | Q77515100 |