Bis(2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
| Internal ID | 5ec71e83-c802-4119-b80b-60d3f3828e36 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | bis(2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H54N2O6/c1-21-17-41(5)19-31-23(3)33(15-29(21)31)47-39(45)37-35(25-7-11-27(43)12-8-25)38(36(37)26-9-13-28(44)14-10-26)40(46)48-34-16-30-22(2)18-42(6)20-32(30)24(34)4/h7-14,21-24,29-38,43-44H,15-20H2,1-6H3 |
| InChI Key | WIWBHTSWIXPGLX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H54N2O6 |
| Molecular Weight | 658.90 g/mol |
| Exact Mass | 658.39818745 g/mol |
| Topological Polar Surface Area (TPSA) | 99.50 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of Bis(2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/cc664970-857f-11ee-8ab0-6db2d872703d.jpg "2D Structure of Bis(2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.05% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.48% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.96% | 93.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.70% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.76% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.28% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.87% | 91.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.31% | 90.93% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.14% | 85.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.10% | 95.88% |
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.
| Incarvillea sinensis |
| PubChem | 162911952 |
| LOTUS | LTS0225183 |
| wikiData | Q105306564 |