(4,6-Dimethoxy-7,10,11-trimethyl-2,5-dioxatetracyclo[8.4.0.01,3.04,8]tetradec-7-en-14-yl) 3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
| Internal ID | 19397a18-a7b3-47c0-bb62-52a22064ed9a |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (4,6-dimethoxy-7,10,11-trimethyl-2,5-dioxatetracyclo[8.4.0.01,3.04,8]tetradec-7-en-14-yl) 3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate |
| SMILES (Canonical) | CCCCCCC(CO)C=C(C)C(C(C)C(=O)OC1CCC(C2(C13C(O3)C4(C(=C(C(O4)OC)C)C2)OC)C)C)O |
| SMILES (Isomeric) | CCCCCCC(CO)C=C(C)C(C(C)C(=O)OC1CCC(C2(C13C(O3)C4(C(=C(C(O4)OC)C)C2)OC)C)C)O |
| InChI | InChI=1S/C32H52O8/c1-9-10-11-12-13-23(18-33)16-19(2)26(34)22(5)27(35)38-25-15-14-20(3)30(6)17-24-21(4)28(36-7)39-32(24,37-8)29-31(25,30)40-29/h16,20,22-23,25-26,28-29,33-34H,9-15,17-18H2,1-8H3 |
| InChI Key | OMFJTIUQBUXYGZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H52O8 |
| Molecular Weight | 564.70 g/mol |
| Exact Mass | 564.36621861 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (4,6-Dimethoxy-7,10,11-trimethyl-2,5-dioxatetracyclo[8.4.0.01,3.04,8]tetradec-7-en-14-yl) 3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/63575540-86a2-11ee-8dcf-bb534fd9dfd8.jpg "2D Structure of (4,6-Dimethoxy-7,10,11-trimethyl-2,5-dioxatetracyclo[8.4.0.01,3.04,8]tetradec-7-en-14-yl) 3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate")
| 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 | 98.67% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.54% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.86% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 94.69% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.49% | 91.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.73% | 92.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.37% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.94% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.54% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.40% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.32% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.30% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.29% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.26% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.82% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.52% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.58% | 98.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.02% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.81% | 95.50% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.59% | 96.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.48% | 92.88% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.56% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.44% | 97.14% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.79% | 97.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.69% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.44% | 95.56% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.58% | 85.49% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.41% | 93.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.99% | 89.67% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.79% | 82.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.38% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.63% | 86.33% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 81.98% | 92.95% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.80% | 97.50% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.42% | 95.36% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.60% | 91.24% |
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 | 163076907 |
| LOTUS | LTS0177787 |
| wikiData | Q104193506 |