Methyl 18-[furan-3-yl(hydroxy)methyl]-4,4,9,18-tetramethyl-3,8,14-trioxo-7,11,15-trioxapentacyclo[10.3.3.01,12.02,10.05,9]octadecane-6-carboxylate
| Internal ID | 4c0fca5a-aed5-4f21-85c7-f213d093fb2f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | methyl 18-[furan-3-yl(hydroxy)methyl]-4,4,9,18-tetramethyl-3,8,14-trioxo-7,11,15-trioxapentacyclo[10.3.3.01,12.02,10.05,9]octadecane-6-carboxylate |
| SMILES (Canonical) | CC1(C2C(OC(=O)C2(C3C(C1=O)C45CCC(C4(O3)CC(=O)O5)(C)C(C6=COC=C6)O)C)C(=O)OC)C |
| SMILES (Isomeric) | CC1(C2C(OC(=O)C2(C3C(C1=O)C45CCC(C4(O3)CC(=O)O5)(C)C(C6=COC=C6)O)C)C(=O)OC)C |
| InChI | InChI=1S/C26H30O10/c1-22(2)16-15(20(30)32-5)34-21(31)24(16,4)19-14(18(22)29)25-8-7-23(3,17(28)12-6-9-33-11-12)26(25,36-19)10-13(27)35-25/h6,9,11,14-17,19,28H,7-8,10H2,1-5H3 |
| InChI Key | AFVCVMTZGVHNFF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O10 |
| Molecular Weight | 502.50 g/mol |
| Exact Mass | 502.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 139.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of Methyl 18-[furan-3-yl(hydroxy)methyl]-4,4,9,18-tetramethyl-3,8,14-trioxo-7,11,15-trioxapentacyclo[10.3.3.01,12.02,10.05,9]octadecane-6-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/4c70f9c0-8433-11ee-b935-f3918e2b6310.jpg "2D Structure of Methyl 18-[furan-3-yl(hydroxy)methyl]-4,4,9,18-tetramethyl-3,8,14-trioxo-7,11,15-trioxapentacyclo[10.3.3.01,12.02,10.05,9]octadecane-6-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.23% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.86% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.39% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.96% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.51% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.24% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.04% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.32% | 92.51% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.21% | 89.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.47% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.56% | 91.19% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.74% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.64% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.25% | 97.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.17% | 94.80% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.07% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.91% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.86% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 82.27% | 97.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.68% | 94.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.45% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.04% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.03% | 97.25% |
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.
| Heynea trijuga |
| PubChem | 163046948 |
| LOTUS | LTS0109247 |
| wikiData | Q104911572 |