Isofusidienol D
| Internal ID | e03c3af1-e410-44c9-9d37-1c65323a6f07 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | methyl 10-hydroxy-8-(hydroxymethyl)-11-oxo-4,5-dihydrooxepino[4,5-b]chromene-1-carboxylate |
| SMILES (Canonical) | COC(=O)C1=COCCC2=C1C(=O)C3=C(C=C(C=C3O2)CO)O |
| SMILES (Isomeric) | COC(=O)C1=COCCC2=C1C(=O)C3=C(C=C(C=C3O2)CO)O |
| InChI | InChI=1S/C16H14O7/c1-21-16(20)9-7-22-3-2-11-13(9)15(19)14-10(18)4-8(6-17)5-12(14)23-11/h4-5,7,17-18H,2-3,6H2,1H3 |
| InChI Key | SKCRDIDQZJCWDG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O7 |
| Molecular Weight | 318.28 g/mol |
| Exact Mass | 318.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
| 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 | 98.85% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.73% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.69% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.79% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.24% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.13% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.88% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.51% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.69% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.53% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.07% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.53% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.85% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.42% | 90.71% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 81.22% | 90.48% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.10% | 83.82% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.61% | 92.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.44% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.14% | 95.56% |
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 | 24787648 |
| LOTUS | LTS0096435 |
| wikiData | Q77374013 |