[3-(3a,7-Dimethyl-1,2,3,4,5,6,7,7a-octahydroinden-1-yl)-2-methylprop-2-enyl] thiocyanate
| Internal ID | f6cbaa3d-e231-47da-8a9e-6068f8017559 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [3-(3a,7-dimethyl-1,2,3,4,5,6,7,7a-octahydroinden-1-yl)-2-methylprop-2-enyl] thiocyanate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H25NS/c1-12(10-18-11-17)9-14-6-8-16(3)7-4-5-13(2)15(14)16/h9,13-15H,4-8,10H2,1-3H3 |
| InChI Key | DHYDUAYOJJKGRC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H25NS |
| Molecular Weight | 263.40 g/mol |
| Exact Mass | 263.17077098 g/mol |
| Topological Polar Surface Area (TPSA) | 49.10 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of [3-(3a,7-Dimethyl-1,2,3,4,5,6,7,7a-octahydroinden-1-yl)-2-methylprop-2-enyl] thiocyanate](https://plantaedb.com/storage/docs/compounds/2023/11/3-3a7-dimethyl-12345677a-octahydroinden-1-yl-2-methylprop-2-enyl-thiocyanate.jpg "2D Structure of [3-(3a,7-Dimethyl-1,2,3,4,5,6,7,7a-octahydroinden-1-yl)-2-methylprop-2-enyl] thiocyanate")
| 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 | 96.06% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.82% | 96.38% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.77% | 95.58% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.21% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.12% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.29% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.85% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.38% | 91.11% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 84.99% | 88.81% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.36% | 99.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.77% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.44% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.21% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.04% | 97.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.28% | 82.69% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.15% | 98.99% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.92% | 83.82% |
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 | 74000091 |
| LOTUS | LTS0053634 |
| wikiData | Q104980977 |