IT-143-B
| Internal ID | 7c34c591-2d33-4063-9775-a3e412958628 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-[(2E,5E,7E,11E,13E)-10-hydroxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H41NO4/c1-10-18(2)16-21(5)25(30)22(6)17-20(4)13-11-12-19(3)14-15-24-23(7)26(31)27(32-8)28(29-24)33-9/h10-11,13-14,16-17,22,25,30H,12,15H2,1-9H3,(H,29,31)/b13-11+,18-10+,19-14+,20-17+,21-16+ |
| InChI Key | QDBZGOIMALIBKV-JXOBDNEFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H41NO4 |
| Molecular Weight | 455.60 g/mol |
| Exact Mass | 455.30355879 g/mol |
| Topological Polar Surface Area (TPSA) | 67.80 Ų |
| XlogP | 7.40 |
| IT-143-B |
| 2-[(2E,5E,7E,11E,13E)-10-Hydroxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.82% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.76% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.89% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.47% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.66% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.20% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.77% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.93% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.19% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.74% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.09% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.72% | 91.07% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.56% | 90.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.95% | 96.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.87% | 95.56% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.55% | 92.98% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.15% | 97.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.66% | 95.50% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.33% | 88.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.32% | 92.68% |
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.
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| There are no matching plants. |
| PubChem | 9825264 |
| LOTUS | LTS0109742 |
| wikiData | Q105218726 |