50-[4-(Dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one
| Internal ID | 88fffda5-067d-41cd-918f-19192a37d2be |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | 50-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one |
| SMILES (Canonical) | CCC(C)CCCC1C=C(C(CC(CCCC(C(C(CC=CC=C(C(C(C2CC(C(C(O2)(CC(=O)OC(C=CC(CC(CCCC(C(C(CCC(C(CC(CC(CCC(C1O)O)O)O)O)C)O)C)O)O)O)C)O)C)OC3C(C(C(C(O3)C)O)N(C)C)O)C)O)C)O)C)O)O)O)C |
| SMILES (Isomeric) | CCC(C)CCCC1C=C(C(CC(CCCC(C(C(CC=CC=C(C(C(C2CC(C(C(O2)(CC(=O)OC(C=CC(CC(CCCC(C(C(CCC(C(CC(CC(CCC(C1O)O)O)O)O)C)O)C)O)O)O)C)O)C)OC3C(C(C(C(O3)C)O)N(C)C)O)C)O)C)O)C)O)O)O)C |
| InChI | InChI=1S/C73H133NO22/c1-14-41(2)20-17-22-51-34-44(5)63(86)37-53(76)24-19-27-58(81)46(7)57(80)25-16-15-21-43(4)68(88)48(9)64-39-65(95-72-71(91)67(74(12)13)69(89)50(11)94-72)49(10)73(92,96-64)40-66(87)93-45(6)29-30-54(77)35-52(75)23-18-26-59(82)47(8)60(83)32-28-42(3)62(85)38-56(79)36-55(78)31-33-61(84)70(51)90/h15-16,21,29-30,34,41-42,45-65,67-72,75-86,88-92H,14,17-20,22-28,31-33,35-40H2,1-13H3 |
| InChI Key | SZXUZQODGAKEAQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C73H133NO22 |
| Molecular Weight | 1376.80 g/mol |
| Exact Mass | 1375.93192487 g/mol |
| Topological Polar Surface Area (TPSA) | 401.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 50-[4-(Dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/45f38830-8727-11ee-a2c3-bdcd87142d60.jpg "2D Structure of 50-[4-(Dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 99.24% | 96.77% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.96% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.57% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.51% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.45% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.86% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.93% | 93.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.91% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.86% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 92.84% | 98.75% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.48% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.59% | 94.73% |
| CHEMBL240 | Q12809 | HERG | 91.09% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.04% | 94.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 89.06% | 96.90% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.62% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.41% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.65% | 91.07% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.24% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.60% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.41% | 93.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.22% | 96.43% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 84.71% | 86.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.84% | 100.00% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 83.82% | 95.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.36% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.23% | 86.33% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.20% | 95.34% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.17% | 96.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.47% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.03% | 97.25% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.81% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.27% | 89.00% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.26% | 95.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.02% | 96.37% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.96% | 96.21% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.96% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.71% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.38% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.31% | 90.71% |
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 | 75310644 |
| LOTUS | LTS0063178 |
| wikiData | Q104197827 |