4-(Furan-3-yl)-12,13-dihydroxy-2,16-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadecane-6,11-dione
| Internal ID | 35fe5a5b-d202-4640-a374-ecd93557f23a |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 4-(furan-3-yl)-12,13-dihydroxy-2,16-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadecane-6,11-dione |
| SMILES (Canonical) | CC12CC(OC(=O)C1CC3C4(C2CCC(C4(C(=O)O3)O)O)C)C5=COC=C5 |
| SMILES (Isomeric) | CC12CC(OC(=O)C1CC3C4(C2CCC(C4(C(=O)O3)O)O)C)C5=COC=C5 |
| InChI | InChI=1S/C20H24O7/c1-18-8-12(10-5-6-25-9-10)26-16(22)11(18)7-15-19(2)13(18)3-4-14(21)20(19,24)17(23)27-15/h5-6,9,11-15,21,24H,3-4,7-8H2,1-2H3 |
| InChI Key | BGUFCQCRKIFYQV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O7 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 4-(Furan-3-yl)-12,13-dihydroxy-2,16-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadecane-6,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/753d18c0-86fa-11ee-a08f-930aa379b2e2.jpg "2D Structure of 4-(Furan-3-yl)-12,13-dihydroxy-2,16-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadecane-6,11-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.18% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.97% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.80% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.02% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.21% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.10% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.89% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.53% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.51% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.92% | 100.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 83.40% | 92.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.04% | 98.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.12% | 92.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.06% | 97.25% |
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.
| Tinospora crispa |
| PubChem | 14671117 |
| LOTUS | LTS0071994 |
| wikiData | Q104935734 |