2-[30-[5-(Dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide
| Internal ID | 9d6b20e4-c5a0-4cbb-a7b4-8bd3d88517e4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | 2-[30-[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide |
| SMILES (Canonical) | CC1C(C(CC(O1)OC2C3C4C5=NC(=CS5)C(=O)NC(COC(=O)C6=C(CO3)C7=C(COC2=O)C=CC=C7N6O)C8=NC(=CS8)C9=NC(=C(C=C9C1=NC(=CS1)C(=O)NC(C(=O)NC(=C(C)OC)C1=NC(=CS1)C(=O)N4)C(C)O)O)C1=NC(=CS1)C(=O)N)(C)O)N(C)C |
| SMILES (Isomeric) | CC1C(C(CC(O1)OC2C3C4C5=NC(=CS5)C(=O)NC(COC(=O)C6=C(CO3)C7=C(COC2=O)C=CC=C7N6O)C8=NC(=CS8)C9=NC(=C(C=C9C1=NC(=CS1)C(=O)NC(C(=O)NC(=C(C)OC)C1=NC(=CS1)C(=O)N4)C(C)O)O)C1=NC(=CS1)C(=O)N)(C)O)N(C)C |
| InChI | InChI=1S/C58H57N13O17S5/c1-21(72)37-50(78)68-38(22(2)83-7)53-64-32(20-92-53)49(77)69-41-43-44(88-35-12-58(4,81)45(70(5)6)23(3)87-35)57(80)85-13-24-9-8-10-33-36(24)26(14-84-43)42(71(33)82)56(79)86-15-27(60-47(75)30-19-93-55(41)65-30)52-61-28(16-90-52)39-25(51-63-31(18-89-51)48(76)67-37)11-34(73)40(66-39)54-62-29(17-91-54)46(59)74/h8-11,16-21,23,27,35,37,41,43-45,72-73,81-82H,12-15H2,1-7H3,(H2,59,74)(H,60,75)(H,67,76)(H,68,78)(H,69,77) |
| InChI Key | FSNODJXNXRVAMV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C58H57N13O17S5 |
| Molecular Weight | 1368.50 g/mol |
| Exact Mass | 1367.25989327 g/mol |
| Topological Polar Surface Area (TPSA) | 557.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 2-[30-[5-(Dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/a3cc58f0-871a-11ee-aa3d-552052a02c89.jpg "2D Structure of 2-[30-[5-(Dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide")
| 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 | 99.53% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.16% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.14% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 98.89% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.05% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.84% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.03% | 89.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 96.11% | 96.76% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 95.68% | 85.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.37% | 85.14% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 95.29% | 93.10% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 94.63% | 83.10% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.33% | 91.49% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 94.26% | 95.64% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.55% | 96.77% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.41% | 99.15% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 93.25% | 80.96% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.14% | 96.21% |
| CHEMBL240 | Q12809 | HERG | 92.49% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.77% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.68% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.49% | 95.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 91.35% | 95.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.90% | 91.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.67% | 94.45% |
| CHEMBL4924 | Q9UK32 | Ribosomal protein S6 kinase alpha 6 | 89.78% | 80.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 89.72% | 80.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 89.69% | 100.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 89.68% | 97.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.21% | 97.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.11% | 95.17% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.19% | 92.98% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.82% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.23% | 98.75% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 85.35% | 94.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.81% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.22% | 97.79% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.35% | 90.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.23% | 92.88% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.68% | 92.68% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 82.35% | 81.58% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.23% | 95.34% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.65% | 94.42% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.60% | 95.83% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.95% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.41% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.38% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.02% | 92.62% |
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 | 136652674 |
| LOTUS | LTS0118690 |
| wikiData | Q105000795 |