Roseobacticide K
| Internal ID | be3ca6c3-1dee-4eaa-a4a1-8d87c9bb3df8 |
| Taxonomy | Organoheterocyclic compounds > Cycloheptafurans |
| IUPAC Name | 7-[[3-(4-hydroxyphenyl)-2-oxocyclohepta[b]furan-7-yl]disulfanyl]-3-phenylcyclohepta[b]furan-2-one |
| SMILES (Canonical) | C1=CC=C(C=C1)C2=C3C=CC=C(C=C3OC2=O)SSC4=CC=CC5=C(C(=O)OC5=C4)C6=CC=C(C=C6)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C2=C3C=CC=C(C=C3OC2=O)SSC4=CC=CC5=C(C(=O)OC5=C4)C6=CC=C(C=C6)O |
| InChI | InChI=1S/C30H18O5S2/c31-20-14-12-19(13-15-20)28-24-11-5-9-22(17-26(24)35-30(28)33)37-36-21-8-4-10-23-25(16-21)34-29(32)27(23)18-6-2-1-3-7-18/h1-17,31H |
| InChI Key | MLXVGOSFOASRIA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H18O5S2 |
| Molecular Weight | 522.60 g/mol |
| Exact Mass | 522.05956602 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 5.80 |
| SCHEMBL469728 |
| 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 | 98.63% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.95% | 86.33% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.09% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.30% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.16% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.60% | 99.15% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 90.83% | 95.72% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.46% | 95.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.75% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.82% | 91.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.30% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.98% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.99% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.66% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.27% | 99.17% |
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 | 87112913 |
| LOTUS | LTS0220959 |
| wikiData | Q105167306 |