18-Butan-2-yl-35-ethyl-31-hydroxy-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15-di(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexazatricyclo[36.3.0.06,10]hentetraconta-21,23-diene-2,5,11,14,17,20,29,37-octone
| Internal ID | a3a1ede6-daa7-4501-8832-19f7c8ee9d1d |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 18-butan-2-yl-35-ethyl-31-hydroxy-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15-di(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexazatricyclo[36.3.0.06,10]hentetraconta-21,23-diene-2,5,11,14,17,20,29,37-octone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C56H94N6O13/c1-18-35(7)49-53(68)60(15)47(33(3)4)52(67)57(12)43(32-72-16)51(66)61-29-21-24-41(61)50(65)59(14)48(34(5)6)54(69)62-30-22-25-42(62)56(71)75-40(19-2)23-20-26-44(63)38(10)55(70)74-39(11)36(8)27-28-37(9)45(73-17)31-46(64)58(49)13/h28,31,33-36,38-44,47-49,63H,18-27,29-30,32H2,1-17H3 |
| InChI Key | VXNKUFHPWIHJDR-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) | 213.00 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 18-Butan-2-yl-35-ethyl-31-hydroxy-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15-di(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexazatricyclo[36.3.0.06,10]hentetraconta-21,23-diene-2,5,11,14,17,20,29,37-octone](https://plantaedb.com/storage/docs/compounds/2023/11/68eff510-85c8-11ee-819f-3797649305b5.jpg "2D Structure of 18-Butan-2-yl-35-ethyl-31-hydroxy-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15-di(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexazatricyclo[36.3.0.06,10]hentetraconta-21,23-diene-2,5,11,14,17,20,29,37-octone")
| 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 | 99.26% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.71% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.56% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.50% | 97.05% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.03% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.01% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.87% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 93.69% | 96.43% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.38% | 90.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.31% | 82.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.07% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.69% | 94.45% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 89.19% | 97.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.13% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.77% | 99.18% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.37% | 90.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.18% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.05% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.53% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.02% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.53% | 93.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.62% | 97.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.53% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.46% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.18% | 90.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.17% | 98.75% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 83.08% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.57% | 93.56% |
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.
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| There are no matching plants. |
| PubChem | 73985992 |
| LOTUS | LTS0205177 |
| wikiData | Q104199941 |