6-Benzyl-3-butan-2-yl-10-hydroxy-12-(6-hydroxyheptyl)-4,9-dimethyl-1-oxa-4,7-diazacyclododecane-2,5,8-trione
| Internal ID | 071e8094-a711-49fe-9d1f-5f6b9f17d4b8 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 6-benzyl-3-butan-2-yl-10-hydroxy-12-(6-hydroxyheptyl)-4,9-dimethyl-1-oxa-4,7-diazacyclododecane-2,5,8-trione |
| SMILES (Canonical) | CCC(C)C1C(=O)OC(CC(C(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C)O)CCCCCC(C)O |
| SMILES (Isomeric) | CCC(C)C1C(=O)OC(CC(C(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C)O)CCCCCC(C)O |
| InChI | InChI=1S/C29H46N2O6/c1-6-19(2)26-29(36)37-23(16-12-7-9-13-20(3)32)18-25(33)21(4)27(34)30-24(28(35)31(26)5)17-22-14-10-8-11-15-22/h8,10-11,14-15,19-21,23-26,32-33H,6-7,9,12-13,16-18H2,1-5H3,(H,30,34) |
| InChI Key | FYFLUENRPAAKQH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H46N2O6 |
| Molecular Weight | 518.70 g/mol |
| Exact Mass | 518.33558719 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.54% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.54% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.91% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.70% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.48% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.21% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.19% | 90.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.94% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.32% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.32% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.18% | 97.25% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.93% | 95.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.70% | 96.47% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.57% | 93.99% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.10% | 82.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.80% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.62% | 93.00% |
| CHEMBL1949 | P62937 | Cyclophilin A | 84.68% | 98.57% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.90% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.28% | 89.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.26% | 96.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.24% | 93.56% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.78% | 95.48% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.62% | 95.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.21% | 97.14% |
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 | 163013675 |
| LOTUS | LTS0196291 |
| wikiData | Q104166894 |