[(1S,2E,6S,8R,11E)-3,8,12-trimethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-16-yl]methyl acetate
| Internal ID | 962c3245-1aef-4ceb-aeda-f127373531d1 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans |
| IUPAC Name | [(1S,2E,6S,8R,11E)-3,8,12-trimethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-16-yl]methyl acetate |
| SMILES (Canonical) | CC1=CCCC2(C(O2)CCC(=CC3C(=C(CO3)COC(=O)C)CC1)C)C |
| SMILES (Isomeric) | C/C/1=C\CC[C@@]2([C@@H](O2)CC/C(=C/[C@H]3C(=C(CO3)COC(=O)C)CC1)/C)C |
| InChI | InChI=1S/C22H32O4/c1-15-6-5-11-22(4)21(26-22)10-8-16(2)12-20-19(9-7-15)18(14-25-20)13-24-17(3)23/h6,12,20-21H,5,7-11,13-14H2,1-4H3/b15-6+,16-12+/t20-,21-,22+/m0/s1 |
| InChI Key | TXHSJFIFLNLZSW-FZJCUMHSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O4 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 48.10 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [(1S,2E,6S,8R,11E)-3,8,12-trimethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-16-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4a884480-85b5-11ee-ae9b-d5e4f8c5bd50.jpg "2D Structure of [(1S,2E,6S,8R,11E)-3,8,12-trimethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-16-yl]methyl acetate")
| 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 | 98.19% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.75% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.61% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.54% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.14% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.16% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.22% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.24% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.81% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.69% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.62% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 82.57% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.53% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.75% | 89.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.78% | 85.00% |
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 | 102504924 |
| LOTUS | LTS0023913 |
| wikiData | Q105266748 |