1,3-dimethyl-7-(3,7,11,15-tetramethyl-13-oxohexadeca-2,6,11-trienyl)-2H-purin-6-one
| Internal ID | 38a5008a-1a89-4465-b80d-a1a676f9ffb4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 1,3-dimethyl-7-(3,7,11,15-tetramethyl-13-oxohexadeca-2,6,11-trienyl)-2H-purin-6-one |
| SMILES (Canonical) | CC(C)CC(=O)C=C(C)CCCC(=CCCC(=CCN1C=NC2=C1C(=O)N(CN2C)C)C)C |
| SMILES (Isomeric) | CC(C)CC(=O)C=C(C)CCCC(=CCCC(=CCN1C=NC2=C1C(=O)N(CN2C)C)C)C |
| InChI | InChI=1S/C27H42N4O2/c1-20(2)16-24(32)17-23(5)13-9-11-21(3)10-8-12-22(4)14-15-31-18-28-26-25(31)27(33)30(7)19-29(26)6/h10,14,17-18,20H,8-9,11-13,15-16,19H2,1-7H3 |
| InChI Key | VVFKJCSQWFALCI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42N4O2 |
| Molecular Weight | 454.60 g/mol |
| Exact Mass | 454.33077660 g/mol |
| Topological Polar Surface Area (TPSA) | 58.40 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
| 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 | 97.66% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.39% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.20% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.68% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.68% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.11% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.50% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.46% | 90.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.94% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.88% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.83% | 94.45% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 84.12% | 95.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.72% | 90.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.30% | 93.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.05% | 91.11% |
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.
| There are no matching plants. |
| PubChem | 73323767 |
| LOTUS | LTS0128729 |
| wikiData | Q105297634 |