13-(Furan-3-yl)-8-hydroxy-6,6,10-trimethyl-2,14-dioxatricyclo[9.4.0.01,3]pentadecane-7,15-dione
| Internal ID | beda8bf8-cf85-4e6f-b425-3a6a828b9f30 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | 13-(furan-3-yl)-8-hydroxy-6,6,10-trimethyl-2,14-dioxatricyclo[9.4.0.01,3]pentadecane-7,15-dione |
| SMILES (Canonical) | CC1CC(C(=O)C(CCC2C3(C1CC(OC3=O)C4=COC=C4)O2)(C)C)O |
| SMILES (Isomeric) | CC1CC(C(=O)C(CCC2C3(C1CC(OC3=O)C4=COC=C4)O2)(C)C)O |
| InChI | InChI=1S/C20H26O6/c1-11-8-14(21)17(22)19(2,3)6-4-16-20(26-16)13(11)9-15(25-18(20)23)12-5-7-24-10-12/h5,7,10-11,13-16,21H,4,6,8-9H2,1-3H3 |
| InChI Key | LPDOLIVBSRFDNT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 89.30 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 13-(Furan-3-yl)-8-hydroxy-6,6,10-trimethyl-2,14-dioxatricyclo[9.4.0.01,3]pentadecane-7,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/13-furan-3-yl-8-hydroxy-6610-trimethyl-214-dioxatricyclo940013pentadecane-715-dione.jpg "2D Structure of 13-(Furan-3-yl)-8-hydroxy-6,6,10-trimethyl-2,14-dioxatricyclo[9.4.0.01,3]pentadecane-7,15-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.71% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.48% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.75% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.65% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.59% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.75% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.53% | 100.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.23% | 92.51% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.73% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.94% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.24% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.56% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.41% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.55% | 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.
| Nidorella hottentotica |
| PubChem | 163093588 |
| LOTUS | LTS0191535 |
| wikiData | Q105155116 |