31-Ethylidene-14-hydroxy-21-(1-hydroxyethyl)-11,19-dimethyl-8-(2-methylpropyl)-18-propan-2-yl-16-oxa-36-thia-6,9,12,19,22,29,32,37-octazatetracyclo[32.2.1.02,6.024,29]heptatriacont-1(37)-ene-7,10,13,17,20,23,30,33-octone
| Internal ID | abaf55a1-2c37-4393-9f65-436358145ed6 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 31-ethylidene-14-hydroxy-21-(1-hydroxyethyl)-11,19-dimethyl-8-(2-methylpropyl)-18-propan-2-yl-16-oxa-36-thia-6,9,12,19,22,29,32,37-octazatetracyclo[32.2.1.02,6.024,29]heptatriacont-1(37)-ene-7,10,13,17,20,23,30,33-octone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H62N8O11S/c1-9-24-37(55)47-15-11-10-13-27(47)34(53)45-30(23(7)49)39(57)46(8)31(21(4)5)40(58)59-18-29(50)35(54)41-22(6)32(51)43-25(17-20(2)3)38(56)48-16-12-14-28(48)36-44-26(19-60-36)33(52)42-24/h9,20-23,25-31,49-50H,10-19H2,1-8H3,(H,41,54)(H,42,52)(H,43,51)(H,45,53) |
| InChI Key | IZOPWWYKURDOPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H62N8O11S |
| Molecular Weight | 863.00 g/mol |
| Exact Mass | 862.42587600 g/mol |
| Topological Polar Surface Area (TPSA) | 282.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 31-Ethylidene-14-hydroxy-21-(1-hydroxyethyl)-11,19-dimethyl-8-(2-methylpropyl)-18-propan-2-yl-16-oxa-36-thia-6,9,12,19,22,29,32,37-octazatetracyclo[32.2.1.02,6.024,29]heptatriacont-1(37)-ene-7,10,13,17,20,23,30,33-octone](https://plantaedb.com/storage/docs/compounds/2023/11/dad4bb30-85bb-11ee-8b11-75c2822b7186.jpg "2D Structure of 31-Ethylidene-14-hydroxy-21-(1-hydroxyethyl)-11,19-dimethyl-8-(2-methylpropyl)-18-propan-2-yl-16-oxa-36-thia-6,9,12,19,22,29,32,37-octazatetracyclo[32.2.1.02,6.024,29]heptatriacont-1(37)-ene-7,10,13,17,20,23,30,33-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.41% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.36% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 98.57% | 90.08% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 97.58% | 92.97% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.83% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.03% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.93% | 96.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 95.90% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.80% | 94.45% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 94.66% | 96.31% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 93.90% | 95.92% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.54% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.35% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.97% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.51% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.65% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.02% | 97.64% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.59% | 99.18% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 89.96% | 94.66% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.41% | 88.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.31% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.12% | 90.71% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 87.96% | 94.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.42% | 89.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 87.34% | 88.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.31% | 99.23% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.17% | 94.78% |
| CHEMBL1949 | P62937 | Cyclophilin A | 86.84% | 98.57% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 86.63% | 92.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.57% | 93.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.30% | 89.34% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.68% | 95.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.08% | 96.90% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.20% | 98.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.97% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.60% | 96.77% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.19% | 95.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.60% | 90.24% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.15% | 93.40% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 81.11% | 92.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.47% | 82.38% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.29% | 95.88% |
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 | 74000272 |
| LOTUS | LTS0080798 |
| wikiData | Q105123351 |