18-Butan-2-yl-31-hydroxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15,35-tri(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexazatricyclo[36.3.0.06,10]hentetracont-23-ene-2,5,11,14,17,20,22,29,37-nonone
| Internal ID | 7c6f0016-1cb7-4eb8-8b86-3f3e2f67ba87 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 18-butan-2-yl-31-hydroxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15,35-tri(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexazatricyclo[36.3.0.06,10]hentetracont-23-ene-2,5,11,14,17,20,22,29,37-nonone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C56H94N6O13/c1-18-35(8)49-53(69)60(16)47(33(4)5)52(68)57(13)42(31-73-17)51(67)61-28-20-22-40(61)50(66)59(15)48(34(6)7)54(70)62-29-21-23-41(62)56(72)75-45(32(2)3)25-19-24-43(63)38(11)55(71)74-39(12)36(9)26-27-37(10)44(64)30-46(65)58(49)14/h27,32-36,38-43,45,47-49,63H,18-26,28-31H2,1-17H3 |
| InChI Key | SWGIYHCDCQEEQO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C56H94N6O13 |
| Molecular Weight | 1059.40 g/mol |
| Exact Mass | 1058.68788707 g/mol |
| Topological Polar Surface Area (TPSA) | 221.00 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of 18-Butan-2-yl-31-hydroxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15,35-tri(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexazatricyclo[36.3.0.06,10]hentetracont-23-ene-2,5,11,14,17,20,22,29,37-nonone](https://plantaedb.com/storage/docs/compounds/2023/11/18411310-8576-11ee-abfd-198544dccf24.jpg "2D Structure of 18-Butan-2-yl-31-hydroxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15,35-tri(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexazatricyclo[36.3.0.06,10]hentetracont-23-ene-2,5,11,14,17,20,22,29,37-nonone")
| 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 | 98.99% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.90% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.44% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.23% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.11% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.91% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.44% | 97.05% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.86% | 82.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.87% | 90.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.46% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.81% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.47% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.21% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.15% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.66% | 90.08% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.52% | 99.18% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.51% | 93.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.59% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.05% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.50% | 93.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.15% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.98% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.75% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.74% | 94.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.60% | 93.65% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.09% | 97.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.80% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.20% | 96.47% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.06% | 94.00% |
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 | 73191254 |
| LOTUS | LTS0076432 |
| wikiData | Q105262650 |