7-[(E)-5-[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine
| Internal ID | d56d15a2-fd0a-48c0-8056-ff2d7b7539d3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | 7-[(E)-5-[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)10-13-25(4)20(3)11-14-26(5)19(2)8-7-9-21(25)26/h8,12,16-17,20-21H,7,9-11,13-15H2,1-6H3,(H2,27,28,29)/q+1/b18-12+/t20-,21-,25+,26-/m0/s1 |
| InChI Key | YCSGSEAQYPDNAQ-FGTPADRVSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C26H40N5+ |
| Molecular Weight | 422.60 g/mol |
| Exact Mass | 422.32837130 g/mol |
| Topological Polar Surface Area (TPSA) | 60.60 Ų |
| XlogP | 6.40 |
| CHEMBL1187796 |
| DTXSID701046000 |
![2D Structure of 7-[(E)-5-[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine](https://plantaedb.com/storage/docs/compounds/2023/11/deac79e0-8722-11ee-bb26-9bf74c4e14b6.jpg "2D Structure of 7-[(E)-5-[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine")
| 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 | 97.19% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.64% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.37% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.07% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.53% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.66% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.15% | 91.11% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 85.54% | 95.52% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 85.18% | 98.99% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.10% | 91.03% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.00% | 90.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.77% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.98% | 95.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.01% | 96.90% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.80% | 90.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.62% | 97.53% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.93% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.86% | 92.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.76% | 95.50% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.11% | 93.67% |
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 | 10072840 |
| LOTUS | LTS0126787 |
| wikiData | Q105346456 |