11,12-Epoxypukalide
| Internal ID | d9a62b48-d90e-4f18-8604-e285d5d397cd |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | methyl (1R,4S,10R,12S,14R,15R)-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxylate |
| SMILES (Canonical) | CC(=C)C1CCC23C(O2)C(CC4(C(O4)C5=CC(=C(C1)O5)C(=O)OC)C)OC3=O |
| SMILES (Isomeric) | CC(=C)[C@H]1CC[C@]23[C@H](O2)[C@@H](C[C@]4([C@@H](O4)C5=CC(=C(C1)O5)C(=O)OC)C)OC3=O |
| InChI | InChI=1S/C21H24O7/c1-10(2)11-5-6-21-17(28-21)15(26-19(21)23)9-20(3)16(27-20)14-8-12(18(22)24-4)13(7-11)25-14/h8,11,15-17H,1,5-7,9H2,2-4H3/t11-,15+,16-,17+,20-,21+/m0/s1 |
| InChI Key | QKPWPHBMPBPNMQ-FELIULDUSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H24O7 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 90.80 Ų |
| XlogP | 2.60 |
| 95925-22-7 |
| methyl (1R,4S,10R,12S,14R,15R)-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxylate |
| SCHEMBL2317764 |
| DTXSID20914736 |
| 11,16,18,19-Tetraoxapentacyclo(12.2.2.1(6,9).0(1,15).0(10,12))nonadeca-6,8-diene-7-carboxylic acid, 12-methyl-4-(1-methylethenyl)-17-oxo-, methyl ester, (1R-(1R*,4S*,10R*,12S*,14R*,15R*))- |
| Methyl 12-methyl-17-oxo-4-(prop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]nonadeca-6,8-diene-7-carboxylate |
| 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 | 98.36% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.76% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.62% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.96% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.07% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.71% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.62% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.30% | 93.03% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.73% | 97.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.00% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.54% | 91.24% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.53% | 96.90% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.41% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.11% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.03% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.72% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.92% | 95.71% |
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 | 146895 |
| LOTUS | LTS0081723 |
| wikiData | Q82885551 |