[4,12-Diacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-5-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
| Internal ID | 48e847c9-1b53-40b7-b8a6-f05ca77827ae |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Agarofurans |
| IUPAC Name | [4,12-diacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-5-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate |
| SMILES (Canonical) | CC(=O)OC1CC(C23C(C(CC(C2(C1OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C5=CC=CC=C5)C(O3)(C)C)OC(=O)C)(C)O |
| SMILES (Isomeric) | CC(=O)OC1CC(C23C(C(CC(C2(C1OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C5=CC=CC=C5)C(O3)(C)C)OC(=O)C)(C)O |
| InChI | InChI=1S/C35H40O10/c1-21(36)41-26-20-33(5,40)35-29(42-22(2)37)25(32(3,4)45-35)19-27(43-31(39)24-15-11-8-12-16-24)34(35,6)30(26)44-28(38)18-17-23-13-9-7-10-14-23/h7-18,25-27,29-30,40H,19-20H2,1-6H3 |
| InChI Key | HRJAUSFIYSBLLI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H40O10 |
| Molecular Weight | 620.70 g/mol |
| Exact Mass | 620.26214747 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [4,12-Diacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-5-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/84f47b90-86ad-11ee-8a3d-27586d0d7c9a.jpg "2D Structure of [4,12-Diacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-5-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.85% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.84% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.26% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.32% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.94% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.91% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.33% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.98% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.82% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.30% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.26% | 97.09% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.09% | 81.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.81% | 83.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.54% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.78% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 84.40% | 97.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.02% | 97.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.72% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.10% | 89.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.00% | 89.44% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.06% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.02% | 91.19% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.50% | 94.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.04% | 95.89% |
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.
| Euonymus carnosus |
| PubChem | 162882978 |
| LOTUS | LTS0023938 |
| wikiData | Q105032686 |