7-(Furan-3-yl)-10,19-dihydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione
| Internal ID | a7f1fd29-8915-4fb7-9885-18a3745bc245 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | 7-(furan-3-yl)-10,19-dihydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione |
| SMILES (Canonical) | CC1(C2CC(C3(C(C2(C=CC1=O)C)C(CC4(C35C(O5)C(=O)OC4C6=COC=C6)C)O)C)O)C |
| SMILES (Isomeric) | CC1(C2CC(C3(C(C2(C=CC1=O)C)C(CC4(C35C(O5)C(=O)OC4C6=COC=C6)C)O)C)O)C |
| InChI | InChI=1S/C26H32O7/c1-22(2)15-10-17(29)25(5)18(23(15,3)8-6-16(22)28)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)33-20/h6-9,12,14-15,17-20,27,29H,10-11H2,1-5H3 |
| InChI Key | OLFLLQMUDRRHRK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O7 |
| Molecular Weight | 456.50 g/mol |
| Exact Mass | 456.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 7-(Furan-3-yl)-10,19-dihydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/fd140f10-84b0-11ee-b630-0fb69206d281.jpg "2D Structure of 7-(Furan-3-yl)-10,19-dihydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-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 | 97.63% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.94% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.97% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.01% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.99% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.06% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.63% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.42% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.72% | 99.23% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.49% | 91.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.38% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.29% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.15% | 94.73% |
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.
| Toona sinensis |
| PubChem | 73238333 |
| LOTUS | LTS0266864 |
| wikiData | Q105193952 |