9-[(9,11,11-Trimethyl-3-oxo-2-tricyclo[4.3.2.01,5]undecanyl)methyl]-1,7-dihydropurine-6,8-dione
| Internal ID | 96c82711-0a57-4ae3-8551-61b267af2bb9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 9-[(9,11,11-trimethyl-3-oxo-2-tricyclo[4.3.2.01,5]undecanyl)methyl]-1,7-dihydropurine-6,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26N4O3/c1-10-4-5-11-12-6-14(25)13(20(10,12)8-19(11,2)3)7-24-16-15(23-18(24)27)17(26)22-9-21-16/h9-13H,4-8H2,1-3H3,(H,23,27)(H,21,22,26) |
| InChI Key | BHCRQXWMNOFEEK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26N4O3 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.20049070 g/mol |
| Topological Polar Surface Area (TPSA) | 90.90 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 9-[(9,11,11-Trimethyl-3-oxo-2-tricyclo[4.3.2.01,5]undecanyl)methyl]-1,7-dihydropurine-6,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9-91111-trimethyl-3-oxo-2-tricyclo432015undecanylmethyl-17-dihydropurine-68-dione.jpg "2D Structure of 9-[(9,11,11-Trimethyl-3-oxo-2-tricyclo[4.3.2.01,5]undecanyl)methyl]-1,7-dihydropurine-6,8-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.96% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.68% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.07% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.91% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.64% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.53% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.77% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.32% | 99.23% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.88% | 90.24% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.27% | 98.59% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.26% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.16% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.23% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.95% | 94.75% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.60% | 97.05% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.58% | 95.92% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.14% | 93.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162962803 |
| LOTUS | LTS0240846 |
| wikiData | Q104935877 |