[15-(2,2-dimethyl-5-oxooxolan-3-yl)-8,15-dimethyl-2-methylidene-12-oxo-7-(5-oxo-2H-furan-4-yl)-4,11-dioxatetracyclo[8.5.0.03,5.03,8]pentadec-13-en-9-yl] acetate
| Internal ID | 0e0801a1-3779-40d7-977d-1d5a8082f8df |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [15-(2,2-dimethyl-5-oxooxolan-3-yl)-8,15-dimethyl-2-methylidene-12-oxo-7-(5-oxo-2H-furan-4-yl)-4,11-dioxatetracyclo[8.5.0.03,5.03,8]pentadec-13-en-9-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C2C(C(=C)C34C1(C(CC3O4)C5=CCOC5=O)C)C(C=CC(=O)O2)(C)C6CC(=O)OC6(C)C |
| SMILES (Isomeric) | CC(=O)OC1C2C(C(=C)C34C1(C(CC3O4)C5=CCOC5=O)C)C(C=CC(=O)O2)(C)C6CC(=O)OC6(C)C |
| InChI | InChI=1S/C28H32O9/c1-13-21-22(35-19(30)7-9-26(21,5)17-12-20(31)37-25(17,3)4)23(34-14(2)29)27(6)16(11-18-28(13,27)36-18)15-8-10-33-24(15)32/h7-9,16-18,21-23H,1,10-12H2,2-6H3 |
| InChI Key | NIHFQUOLHVRBPD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O9 |
| Molecular Weight | 512.50 g/mol |
| Exact Mass | 512.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [15-(2,2-dimethyl-5-oxooxolan-3-yl)-8,15-dimethyl-2-methylidene-12-oxo-7-(5-oxo-2H-furan-4-yl)-4,11-dioxatetracyclo[8.5.0.03,5.03,8]pentadec-13-en-9-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b54d3ae0-87b2-11ee-8a28-85f57a0540df.jpg "2D Structure of [15-(2,2-dimethyl-5-oxooxolan-3-yl)-8,15-dimethyl-2-methylidene-12-oxo-7-(5-oxo-2H-furan-4-yl)-4,11-dioxatetracyclo[8.5.0.03,5.03,8]pentadec-13-en-9-yl] 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.79% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.11% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.91% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.71% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.46% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.38% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.58% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.52% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.36% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.94% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.35% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.32% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.52% | 91.24% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.14% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.66% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.64% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.47% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.33% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.74% | 94.73% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.37% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.11% | 94.00% |
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.
| Munronia pinnata |
| PubChem | 85384215 |
| LOTUS | LTS0234542 |
| wikiData | Q105179814 |