Divergolide T
| Internal ID | bf6b3b85-6edf-4c1a-a056-e39785b067fe |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (9R,10E,13S,16Z,18R,25R)-9-ethyl-4,25-dihydroxy-3,16-dimethyl-13-(2-methylpropyl)-14-oxa-20-azatetracyclo[16.6.1.05,24.021,25]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H37NO7/c1-6-19-8-7-9-20(12-16(2)3)39-30(37)18(5)14-22-29(36)32-25-15-24(34)26-21(31(22,25)38)13-17(4)28(35)27(26)23(33)11-10-19/h7-8,13-16,19-20,22,35,38H,6,9-12H2,1-5H3,(H,32,36)/b8-7+,18-14-/t19-,20+,22-,31-/m0/s1 |
| InChI Key | XVZBBQXWAQFOEC-DOZSOBCQSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C31H37NO7 |
| Molecular Weight | 535.60 g/mol |
| Exact Mass | 535.25700252 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 4.20 |
| CHEMBL5203349 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.28% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.17% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 92.42% | 85.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.30% | 96.47% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.89% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.32% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.17% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.03% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.95% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.30% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.14% | 99.23% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 87.91% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.20% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.84% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.80% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.71% | 93.18% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.69% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.68% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.55% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.32% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.13% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.77% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.53% | 90.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.31% | 90.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.87% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.80% | 93.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.34% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.60% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.92% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.54% | 92.62% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.11% | 93.04% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 146682913 |
| LOTUS | LTS0055632 |
| wikiData | Q105343273 |