(5S)-5-(6-aminopurin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
| Internal ID | f04c2f87-3dfd-4030-a08b-5c933cc0ebe4 |
| Taxonomy | Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > 6-aminopurines |
| IUPAC Name | (5S)-5-(6-aminopurin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one |
| SMILES (Canonical) | CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)N2C=NC3=C(N=CN=C32)N |
| SMILES (Isomeric) | CCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)N2C=NC3=C(N=CN=C32)N |
| InChI | InChI=1S/C24H33N5O3/c1-3-4-5-6-7-8-18(29-16-28-22-23(25)26-15-27-24(22)29)14-19(30)11-9-17-10-12-20(31)21(13-17)32-2/h10,12-13,15-16,18,31H,3-9,11,14H2,1-2H3,(H2,25,26,27)/t18-/m0/s1 |
| InChI Key | NLNHJQPOBHCYDD-SFHVURJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H33N5O3 |
| Molecular Weight | 439.60 g/mol |
| Exact Mass | 439.25833993 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.30 |
| 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 | 99.63% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.95% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.79% | 95.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.74% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.55% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.25% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.96% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.85% | 98.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.45% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.61% | 90.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.05% | 92.08% |
| CHEMBL3891 | P07384 | Calpain 1 | 87.10% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.92% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.47% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.59% | 96.90% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.03% | 96.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.57% | 92.86% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.65% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.28% | 94.73% |
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.
| Zingiber officinale |
| PubChem | 162867702 |
| LOTUS | LTS0144420 |
| wikiData | Q105181459 |