Tylosin C
Internal ID | 8b46e34d-0061-41db-aca7-43d1ec836cd7 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
IUPAC Name | 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-15-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde |
SMILES (Canonical) | CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)O)OC |
SMILES (Isomeric) | CC[C@@H]1C(/C=C(/C=C/C(=O)[C@@H](C[C@@H](C([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC |
InChI | InChI=1S/C45H75NO17/c1-12-32-29(21-57-44-41(56-11)38(53)36(51)25(5)59-44)17-22(2)13-14-30(48)23(3)18-28(15-16-47)39(24(4)31(49)19-33(50)61-32)63-43-37(52)35(46(9)10)40(26(6)60-43)62-34-20-45(8,55)42(54)27(7)58-34/h13-14,16-17,23-29,31-32,34-44,49,51-55H,12,15,18-21H2,1-11H3/b14-13+,22-17+/t23-,24+,25-,26-,27+,28+,29?,31-,32-,34+,35-,36-,37-,38-,39?,40-,41-,42+,43+,44-,45-/m1/s1 |
InChI Key | UFUYRGNJTFAODM-MIUQDMJTSA-N |
Popularity | 5 references in papers |
Molecular Formula | C45H75NO17 |
Molecular Weight | 902.10 g/mol |
Exact Mass | 901.50349992 g/mol |
Topological Polar Surface Area (TPSA) | 250.00 Ų |
XlogP | 0.40 |
2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-15-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde |
11049-15-3 |
Tylosin, 3(sup C)-O-demethyl- |
BRN 6468979 |
Q6725209 |
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 | 97.24% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.19% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.03% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 95.58% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.98% | 89.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 92.84% | 95.93% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.79% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.45% | 97.09% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.41% | 82.38% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 89.17% | 91.49% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.64% | 100.00% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.41% | 97.36% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.02% | 95.89% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.73% | 94.73% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.72% | 90.08% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.17% | 92.62% |
CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 84.08% | 95.00% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.87% | 96.90% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.67% | 85.14% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.41% | 83.00% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.27% | 97.05% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 82.16% | 97.79% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.91% | 92.94% |
CHEMBL5957 | P21589 | 5'-nucleotidase | 80.30% | 97.78% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.19% | 95.64% |
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.
Carthamus tinctorius |
PubChem | 6440817 |
LOTUS | LTS0113328 |
wikiData | Q105013686 |