3,5,15,17-O-Tetraacetyl-7-O-nicotinoylcheiradone
| Internal ID | 8ac61dd2-a51c-4456-8764-29fc757d32f8 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [(1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-2,4,7-triacetyloxy-1-(acetyloxymethyl)-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-15-yl] pyridine-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H41NO12/c1-17-14-34(46-21(5)39)25(26(17)43-19(3)37)28(44-20(4)38)33(16-42-18(2)36)24(45-29(40)22-10-9-13-35-15-22)12-11-23-27(33)32(8,30(34)41)47-31(23,6)7/h9-13,15,17,23-28H,14,16H2,1-8H3/t17-,23-,24+,25+,26-,27-,28+,32-,33+,34+/m0/s1 |
| InChI Key | DHOFOOLUGSPOFF-FSHZCWIOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H41NO12 |
| Molecular Weight | 655.70 g/mol |
| Exact Mass | 655.26287574 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | 2.40 |
| ((1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-2,4,7-triacetyloxy-1-(acetyloxymethyl)-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo(7.6.1.03,7.012,16)hexadec-13-en-15-yl) pyridine-3-carboxylate |
| [(1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-2,4,7-Triacetyloxy-1-(acetyloxymethyl)-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-15-yl] pyridine-3-carboxylate |
| TANC CPD |
| RefChem:91287 |
| 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 | 98.37% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.36% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.28% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.06% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.89% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.95% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.11% | 81.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.08% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.90% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.09% | 91.49% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.14% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.48% | 94.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.37% | 96.00% |
| CHEMBL5028 | O14672 | ADAM10 | 85.17% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.85% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.56% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.27% | 95.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.09% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.85% | 83.82% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.62% | 93.10% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.69% | 94.80% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.67% | 96.67% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.34% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.77% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.55% | 90.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.31% | 94.42% |
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.
| Euphorbia polycaulis |
| PubChem | 10865221 |
| LOTUS | LTS0074574 |
| wikiData | Q104980541 |