Eupomatilone 4
| Internal ID | 307c452b-a7e0-47df-add0-82d5e2d8ebca |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (3R,4S,5R)-5-[7-methoxy-6-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-5-yl]-3,4-dimethyloxolan-2-one |
| SMILES (Canonical) | CC1C(C(=O)OC1C2=CC3=C(C(=C2C4=CC(=C(C(=C4)OC)OC)OC)OC)OCO3)C |
| SMILES (Isomeric) | C[C@H]1[C@H](C(=O)O[C@H]1C2=CC3=C(C(=C2C4=CC(=C(C(=C4)OC)OC)OC)OC)OCO3)C |
| InChI | InChI=1S/C23H26O8/c1-11-12(2)23(24)31-19(11)14-9-17-21(30-10-29-17)22(28-6)18(14)13-7-15(25-3)20(27-5)16(8-13)26-4/h7-9,11-12,19H,10H2,1-6H3/t11-,12+,19+/m0/s1 |
| InChI Key | YGJWBZGKXSGXHD-AVCJSFLBSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C23H26O8 |
| Molecular Weight | 430.40 g/mol |
| Exact Mass | 430.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 4.00 |
| (3R,4S,5R)-5-[7-methoxy-6-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-5-yl]-3,4-dimethyloxolan-2-one |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.67% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.54% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.23% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.80% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.10% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.63% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.21% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.28% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.17% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.83% | 97.14% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.73% | 82.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.76% | 98.95% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 85.23% | 92.98% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.11% | 94.80% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.92% | 94.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.04% | 94.45% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 80.44% | 82.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.09% | 97.09% |
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.
| Eupomatia bennettii |
| PubChem | 15126375 |
| LOTUS | LTS0241351 |
| wikiData | Q105145860 |