Roseobacticide H
| Internal ID | a05c3e4a-3a74-4fca-b3d8-3fed3c0e0fc4 |
| Taxonomy | Organosulfur compounds > Thioethers > Aryl thioethers > Diarylthioethers |
| IUPAC Name | 3-(4-hydroxyphenyl)-7-(4-hydroxyphenyl)sulfanylcyclohepta[b]furan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H14O4S/c22-14-6-4-13(5-7-14)20-18-3-1-2-17(12-19(18)25-21(20)24)26-16-10-8-15(23)9-11-16/h1-12,22-23H |
| InChI Key | DFIZEAKYMXSEJA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H14O4S |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.06128010 g/mol |
| Topological Polar Surface Area (TPSA) | 92.10 Ų |
| XlogP | 4.30 |
| SCHEMBL469612 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.53% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 94.79% | 98.35% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.97% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.85% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.69% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.78% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.53% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.10% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.88% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.83% | 91.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.27% | 89.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.33% | 95.64% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 87.01% | 95.20% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.45% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.40% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.76% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.29% | 90.71% |
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 | 87112883 |
| LOTUS | LTS0230478 |
| wikiData | Q77519660 |