2-(Furan-3-yl)-10-hydroxy-10b-methyl-1,2,4a,5,6,6a,8,9,10,10a-decahydrobenzo[f]isochromene-4,7-dione
| Internal ID | 725cd95b-89fd-4522-9622-95375927609f |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 2-(furan-3-yl)-10-hydroxy-10b-methyl-1,2,4a,5,6,6a,8,9,10,10a-decahydrobenzo[f]isochromene-4,7-dione |
| SMILES (Canonical) | CC12CC(OC(=O)C1CCC3C2C(CCC3=O)O)C4=COC=C4 |
| SMILES (Isomeric) | CC12CC(OC(=O)C1CCC3C2C(CCC3=O)O)C4=COC=C4 |
| InChI | InChI=1S/C18H22O5/c1-18-8-15(10-6-7-22-9-10)23-17(21)12(18)3-2-11-13(19)4-5-14(20)16(11)18/h6-7,9,11-12,14-16,20H,2-5,8H2,1H3 |
| InChI Key | BGWRQUWBILWCAI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O5 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 76.70 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 2-(Furan-3-yl)-10-hydroxy-10b-methyl-1,2,4a,5,6,6a,8,9,10,10a-decahydrobenzo[f]isochromene-4,7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2-furan-3-yl-10-hydroxy-10b-methyl-124a566a891010a-decahydrobenzofisochromene-47-dione.jpg "2D Structure of 2-(Furan-3-yl)-10-hydroxy-10b-methyl-1,2,4a,5,6,6a,8,9,10,10a-decahydrobenzo[f]isochromene-4,7-dione")
| 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 | 97.71% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.10% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.02% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.05% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.74% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.35% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.35% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.87% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.97% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.86% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.54% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.09% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 73826769 |
| LOTUS | LTS0191370 |
| wikiData | Q104888366 |