2-[6-(2-Amino-1-hydroxy-2-oxoethyl)-19-hydroxy-15-(hydroxymethyl)-28-methoxy-29-methyl-2,5,8,11,14,17,22-heptaoxo-30-pentan-2-yl-3-propan-2-yl-1-oxa-4,7,10,13,16,21-hexazacyclotriaconta-23,25-dien-9-yl]propanamide
| Internal ID | 4f407f6a-45f0-4f30-967d-78ecf74b03df |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 2-[6-(2-amino-1-hydroxy-2-oxoethyl)-19-hydroxy-15-(hydroxymethyl)-28-methoxy-29-methyl-2,5,8,11,14,17,22-heptaoxo-30-pentan-2-yl-3-propan-2-yl-1-oxa-4,7,10,13,16,21-hexazacyclotriaconta-23,25-dien-9-yl]propanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H64N8O14/c1-8-12-20(4)33-21(5)25(60-7)13-10-9-11-14-26(50)42-16-23(49)15-27(51)44-24(18-48)36(56)43-17-28(52)45-30(22(6)34(40)54)37(57)47-31(32(53)35(41)55)38(58)46-29(19(2)3)39(59)61-33/h9-11,14,19-25,29-33,48-49,53H,8,12-13,15-18H2,1-7H3,(H2,40,54)(H2,41,55)(H,42,50)(H,43,56)(H,44,51)(H,45,52)(H,46,58)(H,47,57) |
| InChI Key | ZXPXLSITCJVAOQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H64N8O14 |
| Molecular Weight | 869.00 g/mol |
| Exact Mass | 868.45419875 g/mol |
| Topological Polar Surface Area (TPSA) | 357.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 2-[6-(2-Amino-1-hydroxy-2-oxoethyl)-19-hydroxy-15-(hydroxymethyl)-28-methoxy-29-methyl-2,5,8,11,14,17,22-heptaoxo-30-pentan-2-yl-3-propan-2-yl-1-oxa-4,7,10,13,16,21-hexazacyclotriaconta-23,25-dien-9-yl]propanamide](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-asn3-me-dl-asn3-oh-dl-val-unk-dl-ser-gly.jpg "2D Structure of 2-[6-(2-Amino-1-hydroxy-2-oxoethyl)-19-hydroxy-15-(hydroxymethyl)-28-methoxy-29-methyl-2,5,8,11,14,17,22-heptaoxo-30-pentan-2-yl-3-propan-2-yl-1-oxa-4,7,10,13,16,21-hexazacyclotriaconta-23,25-dien-9-yl]propanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.66% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.81% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.41% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.20% | 90.08% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 93.61% | 92.88% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 93.16% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.00% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.77% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.80% | 90.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.84% | 97.79% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.60% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.03% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.50% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.10% | 96.61% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.54% | 88.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.10% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.87% | 92.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.56% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.35% | 91.07% |
| CHEMBL1801 | P00747 | Plasminogen | 83.03% | 92.44% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.95% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.76% | 89.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.55% | 91.24% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.49% | 93.18% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.11% | 91.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.60% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.39% | 95.93% |
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 | 73837324 |
| LOTUS | LTS0130374 |
| wikiData | Q105385692 |