3-(1-Hydroxycyclopropyl)-10-methyl-6,9,12,15-tetra(propan-2-yl)-7,13-dioxa-1,4,10,16-tetrazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
| Internal ID | 4d51714f-102b-47ba-9011-8cf8caf60587 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3-(1-hydroxycyclopropyl)-10-methyl-6,9,12,15-tetra(propan-2-yl)-7,13-dioxa-1,4,10,16-tetrazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H50N4O9/c1-15(2)20-29(40)44-23(18(7)8)27(38)34(9)21(16(3)4)30(41)43-22(17(5)6)26(37)33-24(31(42)12-13-31)28(39)35-14-10-11-19(35)25(36)32-20/h15-24,42H,10-14H2,1-9H3,(H,32,36)(H,33,37) |
| InChI Key | JCPCKJXCAPNLKN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50N4O9 |
| Molecular Weight | 622.70 g/mol |
| Exact Mass | 622.35777919 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 3-(1-Hydroxycyclopropyl)-10-methyl-6,9,12,15-tetra(propan-2-yl)-7,13-dioxa-1,4,10,16-tetrazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-glyunk-dl-pro-dl-val-dl-oval-dl-nmeval-dl-oval.jpg "2D Structure of 3-(1-Hydroxycyclopropyl)-10-methyl-6,9,12,15-tetra(propan-2-yl)-7,13-dioxa-1,4,10,16-tetrazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone")
| 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 | 99.47% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.79% | 85.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.25% | 90.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.70% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.42% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.06% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.86% | 93.67% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 95.52% | 96.31% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.90% | 93.03% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.27% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.85% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.68% | 94.75% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.78% | 95.62% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.76% | 94.66% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.39% | 92.97% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.05% | 97.05% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 89.63% | 94.50% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.35% | 99.18% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.03% | 82.38% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.69% | 88.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.96% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.48% | 97.09% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 86.50% | 97.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.91% | 99.23% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.92% | 92.12% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.73% | 96.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.95% | 100.00% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 82.31% | 99.29% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.16% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.99% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.77% | 91.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.33% | 91.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.27% | 93.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.33% | 98.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.10% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.00% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 162816234 |
| LOTUS | LTS0106308 |
| wikiData | Q104169392 |