5-(3,7-Dimethylocta-1,6-dien-3-yl)-13-(hydroxymethyl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
| Internal ID | f02fb8e8-df20-4012-9b18-08bd017b82b3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid amides |
| IUPAC Name | 5-(3,7-dimethylocta-1,6-dien-3-yl)-13-(hydroxymethyl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one |
| SMILES (Canonical) | CC(C)C1C(=O)NC(CC2=CNC3=C(C=CC(=C23)N1)C(C)(CCC=C(C)C)C=C)CO |
| SMILES (Isomeric) | CC(C)C1C(=O)NC(CC2=CNC3=C(C=CC(=C23)N1)C(C)(CCC=C(C)C)C=C)CO |
| InChI | InChI=1S/C26H37N3O2/c1-7-26(6,12-8-9-16(2)3)20-10-11-21-22-18(14-27-24(20)22)13-19(15-30)28-25(31)23(29-21)17(4)5/h7,9-11,14,17,19,23,27,29-30H,1,8,12-13,15H2,2-6H3,(H,28,31) |
| InChI Key | KWVWOXJGHDYSDZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H37N3O2 |
| Molecular Weight | 423.60 g/mol |
| Exact Mass | 423.28857743 g/mol |
| Topological Polar Surface Area (TPSA) | 77.20 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 5-(3,7-Dimethylocta-1,6-dien-3-yl)-13-(hydroxymethyl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/786391a0-85e0-11ee-aeda-89ef8bf98056.jpg "2D Structure of 5-(3,7-Dimethylocta-1,6-dien-3-yl)-13-(hydroxymethyl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.65% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 98.29% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.54% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.47% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.42% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.75% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.61% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.09% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.75% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.84% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.29% | 94.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 90.23% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.08% | 90.08% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 89.05% | 81.58% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.82% | 91.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.45% | 96.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.19% | 95.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.93% | 93.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.67% | 92.88% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.39% | 94.73% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 85.44% | 80.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.57% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.48% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.14% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.03% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.95% | 98.59% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.67% | 88.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.11% | 96.90% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.19% | 83.10% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.84% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163020799 |
| LOTUS | LTS0090494 |
| wikiData | Q105314154 |