4-(Furan-3-yl)-11-hydroxy-3,9,13,13,17-pentamethyl-7,19-dioxahexacyclo[14.2.1.03,8.06,8.09,18.012,17]nonadeca-1(18),11-diene-10,14-dione
| Internal ID | 7d9322f7-f2ac-49a7-954e-b14436cc02ce |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | 4-(furan-3-yl)-11-hydroxy-3,9,13,13,17-pentamethyl-7,19-dioxahexacyclo[14.2.1.03,8.06,8.09,18.012,17]nonadeca-1(18),11-diene-10,14-dione |
| SMILES (Canonical) | CC1(C(=O)CC2C3(C1=C(C(=O)C4(C3=C(O2)CC5(C46C(O6)CC5C7=COC=C7)C)C)O)C)C |
| SMILES (Isomeric) | CC1(C(=O)CC2C3(C1=C(C(=O)C4(C3=C(O2)CC5(C46C(O6)CC5C7=COC=C7)C)C)O)C)C |
| InChI | InChI=1S/C26H28O6/c1-22(2)15(27)9-16-24(4)19-14(31-16)10-23(3)13(12-6-7-30-11-12)8-17-26(23,32-17)25(19,5)21(29)18(28)20(22)24/h6-7,11,13,16-17,28H,8-10H2,1-5H3 |
| InChI Key | NSXLDQZIJPTRPF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O6 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 89.30 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 4-(Furan-3-yl)-11-hydroxy-3,9,13,13,17-pentamethyl-7,19-dioxahexacyclo[14.2.1.03,8.06,8.09,18.012,17]nonadeca-1(18),11-diene-10,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/64ed6620-8645-11ee-bdae-d7adc8cc115f.jpg "2D Structure of 4-(Furan-3-yl)-11-hydroxy-3,9,13,13,17-pentamethyl-7,19-dioxahexacyclo[14.2.1.03,8.06,8.09,18.012,17]nonadeca-1(18),11-diene-10,14-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.21% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.01% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.17% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.10% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.06% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.57% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.43% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.41% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.80% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.05% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.09% | 86.33% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.91% | 85.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.29% | 93.40% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.57% | 100.00% |
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.
| Khaya anthotheca |
| PubChem | 73811208 |
| LOTUS | LTS0190468 |
| wikiData | Q105185288 |