Munronin A
| Internal ID | 55db0e7f-ef66-475d-86c4-5f96d9cda674 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [(1R,3S,5R,7R,8R,9R,10R,15R)-15-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-7-(2-hydroxy-5-oxo-2H-furan-4-yl)-8,15-dimethyl-2-methylidene-12-oxo-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=CC(OC5=O)O)C)C(C=CC(=O)O2)(C)C6CC(=O)OC6(C)C |
| SMILES (Isomeric) | CC(=O)O[C@H]1[C@H]2[C@@H](C(=C)[C@]34[C@@]1([C@@H](C[C@H]3O4)C5=CC(OC5=O)O)C)[C@](C=CC(=O)O2)(C)[C@H]6CC(=O)OC6(C)C |
| InChI | InChI=1S/C28H32O10/c1-12-21-22(35-18(30)7-8-26(21,5)16-11-20(32)38-25(16,3)4)23(34-13(2)29)27(6)15(10-17-28(12,27)37-17)14-9-19(31)36-24(14)33/h7-9,15-17,19,21-23,31H,1,10-11H2,2-6H3/t15-,16-,17+,19?,21+,22+,23-,26-,27+,28+/m0/s1 |
| InChI Key | HEZRGKNYFJXOKF-OEHNLNNJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H32O10 |
| Molecular Weight | 528.50 g/mol |
| Exact Mass | 528.19954721 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 1.40 |
| CHEMBL2269413 |
| [(1R,3S,5R,7R,8R,9R,10R,15R)-15-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-7-(2-hydroxy-5-oxo-2H-furan-4-yl)-8,15-dimethyl-2-methylidene-12-oxo-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 | 99.22% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.97% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.16% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.84% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.55% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.24% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.25% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.20% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.29% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.12% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.56% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.49% | 97.79% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.63% | 97.28% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.34% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.95% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.53% | 91.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.51% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.59% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.42% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.13% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.05% | 96.77% |
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 | 11763148 |
| LOTUS | LTS0103363 |
| wikiData | Q105027183 |