10-Butan-2-yl-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
| Internal ID | de665054-90b0-4269-91e1-8cd4fef6acfe |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 10-butan-2-yl-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H33N3O2/c1-7-14(3)21-22(28)25-16(13-27)11-15-12-24-20-17(23(4,5)8-2)9-10-18(19(15)20)26(21)6/h8-10,12,14,16,21,24,27H,2,7,11,13H2,1,3-6H3,(H,25,28) |
| InChI Key | DALRIICDQKRRFF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H33N3O2 |
| Molecular Weight | 383.50 g/mol |
| Exact Mass | 383.25727730 g/mol |
| Topological Polar Surface Area (TPSA) | 68.40 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 10-Butan-2-yl-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-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/2023/11/939ad460-8764-11ee-86e8-1303ae4f8960.jpg "2D Structure of 10-Butan-2-yl-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.32% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.63% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.62% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.28% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.25% | 89.34% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.09% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.11% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.96% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.65% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.89% | 93.03% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.29% | 98.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.58% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.51% | 95.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.83% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.96% | 85.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.03% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.92% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.85% | 94.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.82% | 89.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.75% | 91.03% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 84.33% | 89.92% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.25% | 92.68% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.07% | 90.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.96% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.59% | 88.56% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 82.55% | 81.58% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.29% | 98.59% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.71% | 80.00% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 81.65% | 85.83% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.50% | 93.99% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.15% | 91.49% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.06% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.95% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.31% | 96.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.28% | 100.00% |
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 | 75049138 |
| LOTUS | LTS0057569 |
| wikiData | Q103818224 |