Lincomycin B
| Internal ID | a313050e-a249-4025-b01e-1d68ff77b364 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Proline and derivatives |
| IUPAC Name | 4-ethyl-N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methylpyrrolidine-2-carboxamide |
| SMILES (Canonical) | CCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O |
| SMILES (Isomeric) | CCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O |
| InChI | InChI=1S/C17H32N2O6S/c1-5-9-6-10(19(3)7-9)16(24)18-11(8(2)20)15-13(22)12(21)14(23)17(25-15)26-4/h8-15,17,20-23H,5-7H2,1-4H3,(H,18,24) |
| InChI Key | DZSDDKNXMARQMJ-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H32N2O6S |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.19810792 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | -0.40 |
| DTXSID50875003 |
| DZSDDKNXMARQMJ-UHFFFAOYSA-N |
| 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 | 98.25% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.28% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.77% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.60% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.95% | 90.17% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 94.09% | 95.58% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.57% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.98% | 97.21% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.91% | 98.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 90.89% | 95.71% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 90.68% | 92.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.46% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.43% | 93.56% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 89.71% | 97.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.67% | 98.05% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.94% | 98.59% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 88.51% | 94.66% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.25% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.18% | 90.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.94% | 92.86% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.46% | 93.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.27% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.58% | 97.14% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.42% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.33% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.11% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.73% | 99.17% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 85.73% | 92.12% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.65% | 94.45% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 85.26% | 98.77% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 84.72% | 92.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.66% | 96.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.95% | 96.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.99% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.73% | 92.50% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 82.73% | 98.46% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 82.62% | 95.36% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.92% | 95.17% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 81.07% | 99.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.03% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.77% | 95.93% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.43% | 96.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.28% | 94.33% |
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.
| Mukdenia rossii |
| Sandoricum koetjape |
| Tripterygium doianum |
| Tripterygium wilfordii |
| PubChem | 3081983 |
| LOTUS | LTS0183573 |
| wikiData | Q105137375 |