[24-[9-Acetyloxy-7-[2-(dimethylamino)propanoyloxy]-12-[formyl(methyl)amino]-3-hydroxy-4,8,10-trimethyldodec-11-en-2-yl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] 2-(dimethylamino)-3-methoxypropanoate
| Internal ID | 1da7851a-354a-47c2-909b-425ea8e8755e |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | [24-[9-acetyloxy-7-[2-(dimethylamino)propanoyloxy]-12-[formyl(methyl)amino]-3-hydroxy-4,8,10-trimethyldodec-11-en-2-yl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] 2-(dimethylamino)-3-methoxypropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C59H101N3O14/c1-38-27-28-39(2)50(72-18)31-29-40(3)56(67)44(7)52(76-59(69)49(36-70-16)61(13)14)24-20-19-21-26-54(65)74-51(25-22-23-48(35-38)71-17)43(6)55(66)41(4)30-32-53(75-58(68)46(9)60(11)12)45(8)57(73-47(10)64)42(5)33-34-62(15)37-63/h19-23,26,28,33-34,37-38,40-46,48-53,55-57,66-67H,24-25,27,29-32,35-36H2,1-18H3 |
| InChI Key | JMXMEKJLQWJRHY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C59H101N3O14 |
| Molecular Weight | 1076.40 g/mol |
| Exact Mass | 1075.72835490 g/mol |
| Topological Polar Surface Area (TPSA) | 200.00 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
![2D Structure of [24-[9-Acetyloxy-7-[2-(dimethylamino)propanoyloxy]-12-[formyl(methyl)amino]-3-hydroxy-4,8,10-trimethyldodec-11-en-2-yl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] 2-(dimethylamino)-3-methoxypropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/19ecad80-858e-11ee-87b1-2dba18c6e3bf.jpg "2D Structure of [24-[9-Acetyloxy-7-[2-(dimethylamino)propanoyloxy]-12-[formyl(methyl)amino]-3-hydroxy-4,8,10-trimethyldodec-11-en-2-yl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] 2-(dimethylamino)-3-methoxypropanoate")
| 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 | 98.31% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.85% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.01% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.69% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.22% | 98.95% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 93.77% | 89.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.57% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.50% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.48% | 90.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.92% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 91.76% | 98.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.63% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.54% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.09% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.04% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.26% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.25% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.18% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.71% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.91% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.73% | 93.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.38% | 97.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.18% | 93.03% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 84.35% | 97.53% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.00% | 96.37% |
| CHEMBL2360 | P00492 | Hypoxanthine-guanine phosphoribosyltransferase | 83.71% | 87.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.04% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.68% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.10% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.81% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.75% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.65% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.48% | 97.50% |
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 | 73122503 |
| LOTUS | LTS0167788 |
| wikiData | Q105131730 |