3-[11-(6-Hydroxy-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl)undeca-2,4,6,8,10-pentaenoyl]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione
| Internal ID | b11f556b-9fcb-46ab-b8fd-5d18e4e21aeb |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | 3-[11-(6-hydroxy-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl)undeca-2,4,6,8,10-pentaenoyl]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione |
| SMILES (Canonical) | CC1CC2C(O1)C(C(O2)C=CC=CC=CC=CC=CC(=O)C3C(=O)C(N(C3=O)C)C(C)C)O |
| SMILES (Isomeric) | CC1CC2C(O1)C(C(O2)C=CC=CC=CC=CC=CC(=O)C3C(=O)C(N(C3=O)C)C(C)C)O |
| InChI | InChI=1S/C26H33NO6/c1-16(2)22-24(30)21(26(31)27(22)4)18(28)13-11-9-7-5-6-8-10-12-14-19-23(29)25-20(33-19)15-17(3)32-25/h5-14,16-17,19-23,25,29H,15H2,1-4H3 |
| InChI Key | JATDWDTVGLHZJG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H33NO6 |
| Molecular Weight | 455.50 g/mol |
| Exact Mass | 455.23078777 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 3-[11-(6-Hydroxy-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl)undeca-2,4,6,8,10-pentaenoyl]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/ee8e16b0-859f-11ee-a243-51ee9c84b362.jpg "2D Structure of 3-[11-(6-Hydroxy-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl)undeca-2,4,6,8,10-pentaenoyl]-1-methyl-5-propan-2-ylpyrrolidine-2,4-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.93% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.46% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.10% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.30% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.57% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.01% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.61% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.99% | 85.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.84% | 89.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.65% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.99% | 93.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.54% | 85.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.94% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.61% | 90.00% |
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.
| Elaphoglossum spatulatum |
| PubChem | 163026326 |
| LOTUS | LTS0220232 |
| wikiData | Q104948771 |