7-Heptyl-3,10-bis(hydroxymethyl)-14-octyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
| Internal ID | ad4c4575-d41a-42c1-ba64-f89bac61f127 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 7-heptyl-3,10-bis(hydroxymethyl)-14-octyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H48N2O8/c1-3-5-7-9-11-13-15-21-17-25(33)29-22(18-30)26(34)36-20(14-12-10-8-6-4-2)16-24(32)28-23(19-31)27(35)37-21/h20-23,30-31H,3-19H2,1-2H3,(H,28,32)(H,29,33) |
| InChI Key | QDXNTPHOGIOVCV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H48N2O8 |
| Molecular Weight | 528.70 g/mol |
| Exact Mass | 528.34106649 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.94% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.23% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.22% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.79% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.76% | 97.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.49% | 98.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.43% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.63% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.27% | 97.29% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.14% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.92% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.46% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.31% | 92.08% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.23% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.17% | 94.45% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.74% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.94% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.41% | 97.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.71% | 99.23% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.71% | 92.97% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.13% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.02% | 88.56% |
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 | 74336827 |
| LOTUS | LTS0114213 |
| wikiData | Q104195714 |