Chitinovorin C
| Internal ID | de525f1f-1c9f-484c-85d9-5231b87a6e76 |
| Taxonomy | Organoheterocyclic compounds > Lactams > Beta lactams > Cephalosporins |
| IUPAC Name | (6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-formamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20N4O8S/c16-8(11(23)24)2-1-3-9(22)18-15(17-6-21)13(27)19-10(12(25)26)7(4-20)5-28-14(15)19/h6,8,14,20H,1-5,16H2,(H,17,21)(H,18,22)(H,23,24)(H,25,26)/t8-,14-,15-/m1/s1 |
| InChI Key | RQPIYCBIFMMJEJ-KBOAJJQZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H20N4O8S |
| Molecular Weight | 416.40 g/mol |
| Exact Mass | 416.10018478 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -4.50 |
| 95230-98-1 |
| Chitinovorin-C |
| (6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-formamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| DTXSID10915055 |
| 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((5-amino-5-carboxy-1-oxopentyl)amino)-7-(formylamino)-3-(hydroxymethyl)-8-oxo-, (6R-(6alpha,7beta(R*)))- |
| 7-[(5-Amino-5-carboxy-1-hydroxypentylidene)amino]-3-(hydroxymethyl)-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.57% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.20% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.13% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 95.86% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.30% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.38% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.23% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.93% | 91.19% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 89.86% | 95.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.34% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.82% | 90.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.65% | 97.29% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.50% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.95% | 98.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.00% | 96.47% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.69% | 99.35% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.64% | 97.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.07% | 93.56% |
| CHEMBL3891 | P07384 | Calpain 1 | 83.07% | 93.04% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.94% | 92.29% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.58% | 95.17% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.92% | 92.32% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.82% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.39% | 99.23% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.33% | 98.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.08% | 96.90% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 80.03% | 88.81% |
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.
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| There are no matching plants. |
| PubChem | 125271 |
| LOTUS | LTS0063933 |
| wikiData | Q82885944 |