[5'-(Furan-3-yl)-6,7-dimethyl-3-methylidene-2',8-dioxospiro[9-oxatricyclo[5.2.2.01,6]undecane-2,3'-oxolane]-4-yl] acetate
| Internal ID | 65b972ce-4eb9-43fe-92b4-867f0ab4e63e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [5'-(furan-3-yl)-6,7-dimethyl-3-methylidene-2',8-dioxospiro[9-oxatricyclo[5.2.2.01,6]undecane-2,3'-oxolane]-4-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CC2(C3(CCC2(C4(C1=C)CC(OC4=O)C5=COC=C5)OC3=O)C)C |
| SMILES (Isomeric) | CC(=O)OC1CC2(C3(CCC2(C4(C1=C)CC(OC4=O)C5=COC=C5)OC3=O)C)C |
| InChI | InChI=1S/C22H24O7/c1-12-15(27-13(2)23)9-20(4)19(3)6-7-22(20,29-17(19)24)21(12)10-16(28-18(21)25)14-5-8-26-11-14/h5,8,11,15-16H,1,6-7,9-10H2,2-4H3 |
| InChI Key | ZMXYPQXDEWMCIE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H24O7 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 92.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of [5'-(Furan-3-yl)-6,7-dimethyl-3-methylidene-2',8-dioxospiro[9-oxatricyclo[5.2.2.01,6]undecane-2,3'-oxolane]-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1a87f240-84f4-11ee-bfdb-51d8ce29f8be.jpg "2D Structure of [5'-(Furan-3-yl)-6,7-dimethyl-3-methylidene-2',8-dioxospiro[9-oxatricyclo[5.2.2.01,6]undecane-2,3'-oxolane]-4-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.81% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.75% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.37% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.26% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.61% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.81% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.56% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.74% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.56% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.25% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.17% | 99.23% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.02% | 95.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.18% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.12% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.01% | 91.07% |
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.
| Microglossa pyrrhopappa |
| Paeonia delavayi |
| Paeonia lactiflora |
| PubChem | 14707191 |
| LOTUS | LTS0075400 |
| wikiData | Q105182519 |