methyl (2S,4R,5R,11R,12R)-14-oxo-5-propan-2-yl-11-prop-1-en-2-yl-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate
| Internal ID | 93f72082-36d6-4c19-8962-258a5afc45a4 |
| Taxonomy | Organoheterocyclic compounds > Furans > Furoic acid and derivatives > Furoic acid esters |
| IUPAC Name | methyl (2S,4R,5R,11R,12R)-14-oxo-5-propan-2-yl-11-prop-1-en-2-yl-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate |
| SMILES (Canonical) | CC(C)C1CC2=C(C=C(O2)C(C3C=C(C4C1O4)C(=O)O3)C(=C)C)C(=O)OC |
| SMILES (Isomeric) | CC(C)[C@H]1CC2=C(C=C(O2)[C@@H]([C@H]3C=C([C@H]4[C@@H]1O4)C(=O)O3)C(=C)C)C(=O)OC |
| InChI | InChI=1S/C21H24O6/c1-9(2)11-6-14-12(20(22)24-5)7-15(25-14)17(10(3)4)16-8-13(21(23)26-16)19-18(11)27-19/h7-9,11,16-19H,3,6H2,1-2,4-5H3/t11-,16-,17+,18-,19+/m1/s1 |
| InChI Key | SNGMXRAYMWQRSS-ZMKKGPNFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 78.30 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of methyl (2S,4R,5R,11R,12R)-14-oxo-5-propan-2-yl-11-prop-1-en-2-yl-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/9a01f2d0-8638-11ee-b7d3-3713e43f8cd3.jpg "2D Structure of methyl (2S,4R,5R,11R,12R)-14-oxo-5-propan-2-yl-11-prop-1-en-2-yl-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.90% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.98% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.52% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.04% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.26% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.09% | 94.80% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.71% | 85.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.39% | 97.79% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.83% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.42% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.76% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.12% | 97.14% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.16% | 97.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.76% | 95.89% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.38% | 95.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.88% | 98.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.92% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.35% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.17% | 99.17% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.86% | 80.96% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.81% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.79% | 91.07% |
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 | 44584546 |
| LOTUS | LTS0212739 |
| wikiData | Q105256416 |