(2R,3S,4R)-10-De-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin D
| Internal ID | 3cbf29b6-0549-4459-9c49-b085d3591365 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines |
| IUPAC Name | [(2R,3R,4S,5R,6R)-6-[[(3aR,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3R)-3-acetamido-6-[[(3R)-3-amino-6-[[(3R)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3,4-dihydroxyoxan-2-yl]methyl carbamate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H60N12O11/c1-16(46)41-19(7-4-10-39-23(49)12-18(36)6-3-9-38-22(48)11-17(35)5-2-8-34)13-24(50)42-27-29(52)28(51)21(15-55-32(37)54)56-31(27)45-33-43-25-20(47)14-40-30(53)26(25)44-33/h17-21,25-29,31,47,51-52H,2-15,34-36H2,1H3,(H2,37,54)(H,38,48)(H,39,49)(H,40,53)(H,41,46)(H,42,50)(H2,43,44,45)/t17-,18-,19-,20-,21-,25-,26-,27-,28+,29+,31-/m1/s1 |
| InChI Key | NCCCZGXVMRHANP-AMLXFVRNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H60N12O11 |
| Molecular Weight | 800.90 g/mol |
| Exact Mass | 800.45045078 g/mol |
| Topological Polar Surface Area (TPSA) | 382.00 Ų |
| XlogP | -7.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.95% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.54% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.00% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.07% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.59% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.21% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.12% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.77% | 90.08% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.07% | 89.34% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 92.66% | 96.90% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.20% | 98.33% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 92.10% | 98.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.00% | 99.23% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.36% | 95.64% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.18% | 97.21% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.08% | 97.79% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 88.95% | 96.28% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.68% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.09% | 95.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.81% | 89.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.90% | 94.73% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.75% | 93.10% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.66% | 94.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.69% | 90.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.28% | 98.59% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 85.28% | 82.86% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.91% | 96.21% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.50% | 85.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.57% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.49% | 94.75% |
| CHEMBL3776 | Q14790 | Caspase-8 | 82.45% | 97.06% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 81.64% | 97.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.63% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.53% | 95.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.25% | 92.29% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.11% | 88.56% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 80.37% | 97.78% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.19% | 80.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.04% | 91.19% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.02% | 92.32% |
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 | 139587076 |
| LOTUS | LTS0069158 |
| wikiData | Q77521036 |