Yanucamide A
| Internal ID | 8990eb94-1844-4339-a407-2691fba50657 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2S,5R,16S)-5-benzyl-4,13,13-trimethyl-12-pent-4-ynyl-2,16-di(propan-2-yl)-1,11-dioxa-4,7,15-triazacycloheptadecane-3,6,10,14,17-pentone |
| SMILES (Canonical) | CC(C)C1C(=O)OC(C(=O)N(C(C(=O)NCCC(=O)OC(C(C(=O)N1)(C)C)CCCC#C)CC2=CC=CC=C2)C)C(C)C |
| SMILES (Isomeric) | CC(C)[C@H]1C(=O)O[C@H](C(=O)N([C@@H](C(=O)NCCC(=O)OC(C(C(=O)N1)(C)C)CCCC#C)CC2=CC=CC=C2)C)C(C)C |
| InChI | InChI=1S/C33H47N3O7/c1-9-10-12-17-25-33(6,7)32(41)35-27(21(2)3)31(40)43-28(22(4)5)30(39)36(8)24(20-23-15-13-11-14-16-23)29(38)34-19-18-26(37)42-25/h1,11,13-16,21-22,24-25,27-28H,10,12,17-20H2,2-8H3,(H,34,38)(H,35,41)/t24-,25?,27+,28+/m1/s1 |
| InChI Key | UJLAUQGSVXILEB-AEDGQBGKSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C33H47N3O7 |
| Molecular Weight | 597.70 g/mol |
| Exact Mass | 597.34140085 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 4.90 |
| CHEMBL510997 |
| SCHEMBL16431504 |
| DTXSID001334709 |
| (2S,5R,16S)-5-benzyl-4,13,13-trimethyl-12-pent-4-ynyl-2,16-di(propan-2-yl)-1,11-dioxa-4,7,15-triazacycloheptadecane-3,6,10,14,17-pentone |
| 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 | 99.62% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.27% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.92% | 90.17% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.69% | 93.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.98% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.03% | 85.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.56% | 90.08% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.21% | 93.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.01% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.82% | 97.25% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.48% | 88.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.40% | 82.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.46% | 99.23% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.92% | 89.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.81% | 86.33% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.25% | 97.64% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.21% | 85.94% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.92% | 98.57% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 82.85% | 96.42% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.59% | 98.59% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.54% | 95.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.47% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.71% | 94.45% |
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 | 21668737 |
| LOTUS | LTS0127848 |
| wikiData | Q77521792 |