(2R,4R,12S)-16-hydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione
| Internal ID | 27ab3ca7-a9d6-4bb7-a79d-58c5c6fde913 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues > Zearalenones |
| IUPAC Name | (2R,4R,12S)-16-hydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione |
| SMILES (Canonical) | CC1CCCC(=O)CCCC2C(O2)C3=C(C(=CC(=C3)OC)O)C(=O)O1 |
| SMILES (Isomeric) | C[C@H]1CCCC(=O)CCC[C@@H]2[C@H](O2)C3=C(C(=CC(=C3)OC)O)C(=O)O1 |
| InChI | InChI=1S/C19H24O6/c1-11-5-3-6-12(20)7-4-8-16-18(25-16)14-9-13(23-2)10-15(21)17(14)19(22)24-11/h9-11,16,18,21H,3-8H2,1-2H3/t11-,16+,18+/m0/s1 |
| InChI Key | CIKHROSWJUFMED-LIXBPZJASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H24O6 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (2R,4R,12S)-16-hydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/60f2ab00-8593-11ee-870b-43cd11422884.jpg "2D Structure of (2R,4R,12S)-16-hydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione")
| 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 | 99.41% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.53% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.29% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.59% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.07% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.82% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.76% | 91.07% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.62% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.14% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.79% | 98.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.29% | 82.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.19% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.05% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.15% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.94% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.88% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.80% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.20% | 86.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.73% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.25% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.15% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.12% | 98.75% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.85% | 97.36% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.22% | 94.45% |
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.
| There are no matching plants. |
| PubChem | 16091604 |
| LOTUS | LTS0083410 |
| wikiData | Q104959908 |