[15-(2,2-Dimethyl-5-oxooxolan-3-yl)-8,15-dimethyl-2-methylidene-12-oxo-7-(5-oxo-1,2-dihydropyrrol-4-yl)-4,11-dioxatetracyclo[8.5.0.03,5.03,8]pentadec-13-en-9-yl] acetate
| Internal ID | cdf3c555-2c38-4905-a52e-393a13a4ad97 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [15-(2,2-dimethyl-5-oxooxolan-3-yl)-8,15-dimethyl-2-methylidene-12-oxo-7-(5-oxo-1,2-dihydropyrrol-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=CCNC5=O)C)C(C=CC(=O)O2)(C)C6CC(=O)OC6(C)C |
| SMILES (Isomeric) | CC(=O)OC1C2C(C(=C)C34C1(C(CC3O4)C5=CCNC5=O)C)C(C=CC(=O)O2)(C)C6CC(=O)OC6(C)C |
| InChI | InChI=1S/C28H33NO8/c1-13-21-22(35-19(31)7-9-26(21,5)17-12-20(32)37-25(17,3)4)23(34-14(2)30)27(6)16(11-18-28(13,27)36-18)15-8-10-29-24(15)33/h7-9,16-18,21-23H,1,10-12H2,2-6H3,(H,29,33) |
| InChI Key | FSPDOKDIFCCWRB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H33NO8 |
| Molecular Weight | 511.60 g/mol |
| Exact Mass | 511.22061701 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 1.40 |
| 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-1,2-dihydropyrrol-4-yl)-4,11-dioxatetracyclo[8.5.0.03,5.03,8]pentadec-13-en-9-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/9d0d0980-85eb-11ee-881a-3b63868e0654.jpg "2D Structure of [15-(2,2-Dimethyl-5-oxooxolan-3-yl)-8,15-dimethyl-2-methylidene-12-oxo-7-(5-oxo-1,2-dihydropyrrol-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 | 98.85% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.98% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.28% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.83% | 97.79% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.79% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.17% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.28% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.20% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.75% | 85.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.79% | 91.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.67% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.50% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.39% | 94.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.61% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.90% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.86% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.80% | 97.25% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 84.41% | 88.84% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.95% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.79% | 95.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.61% | 97.28% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.13% | 96.77% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.43% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.42% | 100.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.39% | 96.39% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.01% | 98.59% |
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 | 85302395 |
| LOTUS | LTS0165551 |
| wikiData | Q105000814 |