6-[4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-7,9-dimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
| Internal ID | 6b4a72d9-7ea9-4f14-ad35-36b55d200cf3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-7,9-dimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione |
| SMILES (Canonical) | CCC1C(C=CC=CC(=O)C(CC(C(CC=CC(=O)O1)OC2C(C(CC(O2)C)N(C)C)O)C)C)(COC3C(C(C(C(O3)C)O)OC)OC)O |
| SMILES (Isomeric) | CCC1C(C=CC=CC(=O)C(CC(C(CC=CC(=O)O1)OC2C(C(CC(O2)C)N(C)C)O)C)C)(COC3C(C(C(C(O3)C)O)OC)OC)O |
| InChI | InChI=1S/C36H59NO12/c1-10-28-36(42,20-45-35-33(44-9)32(43-8)30(40)24(5)47-35)17-12-11-14-26(38)21(2)18-22(3)27(15-13-16-29(39)49-28)48-34-31(41)25(37(6)7)19-23(4)46-34/h11-14,16-17,21-25,27-28,30-35,40-42H,10,15,18-20H2,1-9H3 |
| InChI Key | MGAKDLNEBWLFRK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H59NO12 |
| Molecular Weight | 697.90 g/mol |
| Exact Mass | 697.40372632 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 6-[4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-7,9-dimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bc9652f0-8368-11ee-b8dc-9b6ac7c09333.jpg "2D Structure of 6-[4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-7,9-dimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione")
| 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 | 98.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.60% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.43% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.93% | 90.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.16% | 96.77% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.77% | 89.63% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.71% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.61% | 97.09% |
| CHEMBL204 | P00734 | Thrombin | 89.34% | 96.01% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.91% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.43% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.42% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.21% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.15% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.84% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.87% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.07% | 94.45% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.66% | 97.28% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.60% | 92.94% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.43% | 95.93% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.82% | 96.21% |
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 | 139587210 |
| LOTUS | LTS0132081 |
| wikiData | Q77560446 |