16,18-Dihydroxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione
| Internal ID | f6ce9fc1-3377-4fb3-87dc-fc734de6fbef |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues > Zearalenones |
| IUPAC Name | 16,18-dihydroxy-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)O)O)C(=O)O1 |
| SMILES (Isomeric) | CC1CCCC(=O)CCCC2C(O2)C3=C(C(=CC(=C3)O)O)C(=O)O1 |
| InChI | InChI=1S/C18H22O6/c1-10-4-2-5-11(19)6-3-7-15-17(24-15)13-8-12(20)9-14(21)16(13)18(22)23-10/h8-10,15,17,20-21H,2-7H2,1H3 |
| InChI Key | XKWUXCYGZAULIC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O6 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 96.40 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 16,18-Dihydroxy-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/2023/11/1618-dihydroxy-12-methyl-313-dioxatricyclo1340024nonadeca-1151618-triene-814-dione.jpg "2D Structure of 16,18-Dihydroxy-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 | 99.23% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.48% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.38% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.20% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.95% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.84% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.11% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.61% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.22% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.07% | 96.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.04% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.69% | 99.15% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.68% | 82.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.48% | 92.62% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.42% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.15% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.63% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.13% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.91% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.33% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.77% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.44% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.04% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 163065838 |
| LOTUS | LTS0126669 |
| wikiData | Q104201084 |