N-(7,21-Dihydroxy-17-isopropyl-6-methoxymethyl-20-methyl-2,5,8,15,19,22-hexaoxo-18-oxa-1,4,7,13,14,21,27-heptaaza-tricyclo[21.4.0.0~9,14~]heptacos-26-en-16-yl)-2-hydroxy-2-(2-hydroxy-5-isobutyl-6-methyl-tetrahydro-pyran-2-yl)-propionamide
| Internal ID | efe5184a-a581-40be-aacf-9af814a6a996 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[7,21-dihydroxy-6-(methoxymethyl)-20-methyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacos-26-en-16-yl]-2-hydroxy-2-[2-hydroxy-6-methyl-5-(2-methylpropyl)oxan-2-yl]propanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H62N8O14/c1-20(2)17-24-13-14-38(55,60-23(24)6)37(7,54)36(53)42-29-30(21(3)4)59-35(52)22(5)45(56)32(49)25-11-9-15-40-43(25)28(47)18-39-31(48)27(19-58-8)46(57)33(50)26-12-10-16-41-44(26)34(29)51/h15,20-27,29-30,41,54-57H,9-14,16-19H2,1-8H3,(H,39,48)(H,42,53) |
| InChI Key | HLRDKYXEOKTOGL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C38H62N8O14 |
| Molecular Weight | 854.90 g/mol |
| Exact Mass | 854.43854868 g/mol |
| Topological Polar Surface Area (TPSA) | 290.00 Ų |
| XlogP | -0.30 |
| N-(7,21-Dihydroxy-17-isopropyl-6-methoxymethyl-20-methyl-2,5,8,15,19,22-hexaoxo-18-oxa-1,4,7,13,14,21,27-heptaaza-tricyclo[21.4.0.0~9,14~]heptacos-26-en-16-yl)-2-hydroxy-2-(2-hydroxy-5-isobutyl-6-methyl-tetrahydro-pyran-2-yl)-propionamide |
| N-[dihydroxy-isopropyl-(methoxymethyl)-methyl-hexaoxo-[?]yl]-2-hydroxy-2-(2-hydroxy-5-isobutyl-6-methyl-tetrahydropyran-2-yl)propanamide |
![2D Structure of N-(7,21-Dihydroxy-17-isopropyl-6-methoxymethyl-20-methyl-2,5,8,15,19,22-hexaoxo-18-oxa-1,4,7,13,14,21,27-heptaaza-tricyclo[21.4.0.0~9,14~]heptacos-26-en-16-yl)-2-hydroxy-2-(2-hydroxy-5-isobutyl-6-methyl-tetrahydro-pyran-2-yl)-propionamide](https://plantaedb.com/storage/docs/compounds/2023/11/daa8cf70-8547-11ee-bdbf-d74bcf78d32f.jpg "2D Structure of N-(7,21-Dihydroxy-17-isopropyl-6-methoxymethyl-20-methyl-2,5,8,15,19,22-hexaoxo-18-oxa-1,4,7,13,14,21,27-heptaaza-tricyclo[21.4.0.0~9,14~]heptacos-26-en-16-yl)-2-hydroxy-2-(2-hydroxy-5-isobutyl-6-methyl-tetrahydro-pyran-2-yl)-propionamide")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.54% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.74% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.56% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.20% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 97.10% | 91.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.69% | 91.11% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 95.91% | 92.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.68% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.26% | 98.95% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 92.08% | 98.99% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.73% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.52% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.17% | 90.08% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.58% | 91.07% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 89.26% | 95.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.23% | 96.90% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 87.93% | 97.33% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.60% | 90.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.47% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.37% | 94.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.05% | 97.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.38% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.16% | 89.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.96% | 95.71% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.32% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.06% | 86.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.86% | 94.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.47% | 96.25% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.96% | 100.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.92% | 93.65% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 81.81% | 94.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.44% | 98.05% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.17% | 92.78% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.11% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.28% | 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.
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| There are no matching plants. |
| PubChem | 496217 |
| LOTUS | LTS0126920 |
| wikiData | Q104167983 |