Methyl 4,17,19-trihydroxy-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylate
| Internal ID | 0219b4d5-1ab8-4451-9723-97b7b10df6aa |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | methyl 4,17,19-trihydroxy-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O8S/c1-10-4-3-5-14-17(20(26,9-29-14)19(25)27-2)18(24)16-11(7-15(23)28-10)6-12(21)8-13(16)22/h6,8,10,14,17,21-22,26H,3-5,7,9H2,1-2H3 |
| InChI Key | HAKAZKJHADHNAJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O8S |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.11918889 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of Methyl 4,17,19-trihydroxy-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/51f7f840-8573-11ee-a12a-4f6dc0d436aa.jpg "2D Structure of Methyl 4,17,19-trihydroxy-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylate")
| 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 | 99.40% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.22% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.18% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.01% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.97% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.42% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.04% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.03% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.04% | 91.07% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.44% | 96.09% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 87.35% | 97.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.27% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.05% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.87% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.31% | 92.62% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.43% | 80.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.95% | 85.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.76% | 96.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.37% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.81% | 92.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.64% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.48% | 90.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.95% | 95.62% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.81% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.47% | 95.89% |
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 | 162996539 |
| LOTUS | LTS0074419 |
| wikiData | Q105108650 |