2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal
| Internal ID | 7c82054f-7a2f-4f10-85e7-ed53371ea705 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | 2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H24O/c1-10(9-16)13-6-7-14(2)11-4-5-12(8-11)15(13,14)3/h9-13H,4-8H2,1-3H3/t10?,11-,12+,13+,14+,15+/m0/s1 |
| InChI Key | NTBLMLGSBLTBPJ-OBYQMVEGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H24O |
| Molecular Weight | 220.35 g/mol |
| Exact Mass | 220.182715385 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal](https://plantaedb.com/storage/docs/compounds/2023/11/2-1r2r3r6r7s-26-dimethyl-3-tricyclo521026decanylpropanal.jpg "2D Structure of 2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.39% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.26% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.93% | 93.67% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 90.77% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.40% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.41% | 82.69% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.03% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.60% | 97.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.49% | 95.69% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.47% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.15% | 94.45% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.71% | 85.31% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.72% | 94.75% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.41% | 98.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.22% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.51% | 91.11% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.81% | 95.71% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.66% | 92.98% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.65% | 98.05% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.53% | 96.38% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.42% | 97.93% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.91% | 92.86% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.16% | 97.14% |
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.
| Santalum album |
| PubChem | 101925674 |
| LOTUS | LTS0126987 |
| wikiData | Q105185348 |