[1-[4-[10-hydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl]-3-methylbutyl] N-methylcarbamate
| Internal ID | 3322d101-5d8e-4d5c-9242-58c52b7dea97 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | [1-[4-[10-hydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl]-3-methylbutyl] N-methylcarbamate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H72N2O12S/c1-26(2)20-38(61-48(57)49-11)45-50-35(25-63-45)44-31(7)15-13-14-30(6)43(58-12)34(10)36(52)19-17-27(3)21-29(5)22-33(9)37(23-28(4)16-18-32(8)46(56)62-44)59-47-42(55)41(54)40(53)39(24-51)60-47/h13-15,17-19,21-23,25-26,31,33-34,36-44,47,51-55H,16,20,24H2,1-12H3,(H,49,57) |
| InChI Key | DCUUIFQQELZBFD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H72N2O12S |
| Molecular Weight | 901.20 g/mol |
| Exact Mass | 900.48059691 g/mol |
| Topological Polar Surface Area (TPSA) | 235.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of [1-[4-[10-hydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl]-3-methylbutyl] N-methylcarbamate](https://plantaedb.com/storage/docs/compounds/2023/11/e0c72560-8381-11ee-8a53-2ba657a2a4d3.jpg "2D Structure of [1-[4-[10-hydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl]-3-methylbutyl] N-methylcarbamate")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.13% | 85.14% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 97.70% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.05% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.18% | 96.09% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 95.97% | 97.53% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.81% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.35% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.11% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.59% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.51% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.48% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.40% | 93.56% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.00% | 92.29% |
| CHEMBL5028 | O14672 | ADAM10 | 87.79% | 97.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 87.60% | 97.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.19% | 96.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.37% | 99.17% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.20% | 95.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.74% | 94.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.53% | 91.24% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.98% | 95.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.56% | 100.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.38% | 97.36% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.72% | 85.94% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.33% | 93.04% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.29% | 99.15% |
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 | 162982033 |
| LOTUS | LTS0081241 |
| wikiData | Q103818275 |