2-[6-ethyl-2-hydroxy-5-(2-methylbutyl)oxan-2-yl]-2-hydroxy-N-[6,9,23-trihydroxy-6,24-dimethyl-2,8,11,15,22,25-hexaoxo-10,13-di(propan-2-yl)-12-oxa-3,9,16,17,23,26,27-heptazatetracyclo[24.4.0.03,7.016,21]triacontan-14-yl]propanamide
| Internal ID | b38d1c87-8201-4b5b-bec7-f846b4e9dd85 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 2-[6-ethyl-2-hydroxy-5-(2-methylbutyl)oxan-2-yl]-2-hydroxy-N-[6,9,23-trihydroxy-6,24-dimethyl-2,8,11,15,22,25-hexaoxo-10,13-di(propan-2-yl)-12-oxa-3,9,16,17,23,26,27-heptazatetracyclo[24.4.0.03,7.016,21]triacontan-14-yl]propanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H76N8O14/c1-11-26(7)23-28-17-18-45(63,67-31(28)12-2)44(10,62)42(60)48-32-34(25(5)6)66-41(59)33(24(3)4)53(65)40(58)35-43(9,61)19-22-49(35)37(55)29-15-13-20-46-50(29)36(54)27(8)52(64)38(56)30-16-14-21-47-51(30)39(32)57/h24-35,46-47,61-65H,11-23H2,1-10H3,(H,48,60) |
| InChI Key | SJECZDQCXSPZOK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H76N8O14 |
| Molecular Weight | 953.10 g/mol |
| Exact Mass | 952.54809913 g/mol |
| Topological Polar Surface Area (TPSA) | 291.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 2-[6-ethyl-2-hydroxy-5-(2-methylbutyl)oxan-2-yl]-2-hydroxy-N-[6,9,23-trihydroxy-6,24-dimethyl-2,8,11,15,22,25-hexaoxo-10,13-di(propan-2-yl)-12-oxa-3,9,16,17,23,26,27-heptazatetracyclo[24.4.0.03,7.016,21]triacontan-14-yl]propanamide](https://plantaedb.com/storage/docs/compounds/2023/11/b7ca2760-8627-11ee-b328-79ec4950c0dd.jpg "2D Structure of 2-[6-ethyl-2-hydroxy-5-(2-methylbutyl)oxan-2-yl]-2-hydroxy-N-[6,9,23-trihydroxy-6,24-dimethyl-2,8,11,15,22,25-hexaoxo-10,13-di(propan-2-yl)-12-oxa-3,9,16,17,23,26,27-heptazatetracyclo[24.4.0.03,7.016,21]triacontan-14-yl]propanamide")
| 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 | 99.74% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.94% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.30% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.81% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 97.33% | 96.61% |
| CHEMBL4072 | P07858 | Cathepsin B | 97.25% | 93.67% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 94.74% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.58% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.51% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.45% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.37% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.18% | 97.14% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 90.28% | 90.93% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.96% | 98.59% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.71% | 93.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.67% | 89.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 89.42% | 95.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.31% | 90.08% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.96% | 95.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.85% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.31% | 93.04% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.53% | 96.47% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.37% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.09% | 99.23% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 86.24% | 95.00% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 86.12% | 94.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.87% | 97.05% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.95% | 95.56% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 83.94% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.44% | 92.68% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.27% | 96.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.17% | 89.34% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.72% | 95.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.70% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.55% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.16% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.37% | 92.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.28% | 94.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.17% | 93.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.00% | 98.99% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.86% | 100.00% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.55% | 95.36% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.48% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.16% | 94.75% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 80.07% | 97.86% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 9812732 |
| LOTUS | LTS0133409 |
| wikiData | Q104197340 |