[4,12-Diacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-5-(2-methylpropanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
| Internal ID | d2833fd2-734f-4f86-b09b-d1a00290d0cd |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [4,12-diacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-5-(2-methylpropanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate |
| SMILES (Canonical) | CC(C)C(=O)OC1C(CC(C23C1(C(CC(C2OC(=O)C)C(O3)(C)C)OC(=O)C4=CC=CC=C4)COC(=O)C)(C)O)OC(=O)C |
| SMILES (Isomeric) | CC(C)C(=O)OC1C(CC(C23C1(C(CC(C2OC(=O)C)C(O3)(C)C)OC(=O)C4=CC=CC=C4)COC(=O)C)(C)O)OC(=O)C |
| InChI | InChI=1S/C32H42O12/c1-17(2)27(36)43-26-23(40-19(4)34)15-30(8,38)32-25(41-20(5)35)22(29(6,7)44-32)14-24(31(26,32)16-39-18(3)33)42-28(37)21-12-10-9-11-13-21/h9-13,17,22-26,38H,14-16H2,1-8H3 |
| InChI Key | YVIPLCOAOKLXGX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H42O12 |
| Molecular Weight | 618.70 g/mol |
| Exact Mass | 618.26762677 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of [4,12-Diacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-5-(2-methylpropanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/1698f890-85a7-11ee-87a7-45d789cbec73.jpg "2D Structure of [4,12-Diacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-5-(2-methylpropanoyloxy)-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.80% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.60% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.68% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.07% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.99% | 97.79% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 91.00% | 91.65% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.12% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.23% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.00% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.32% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.67% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.53% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.45% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.39% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 84.04% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.94% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.33% | 97.25% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.03% | 83.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.77% | 95.89% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.57% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.29% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.82% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.10% | 90.00% |
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.
| Euonymus nanus |
| PubChem | 162877702 |
| LOTUS | LTS0111962 |
| wikiData | Q105365416 |