N-[(E)-[(4aR,6S,8aR)-6-chloro-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ylidene]methyl]-1,1-dichloromethanimine
| Internal ID | 60ae8dd8-4a81-4c0c-94f1-ff479dfe652a |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Isocyanide dichlorides |
| IUPAC Name | N-[(E)-[(4aR,6S,8aR)-6-chloro-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ylidene]methyl]-1,1-dichloromethanimine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22Cl3N/c1-14(2)11-5-4-10(9-19-13(17)18)8-15(11,3)7-6-12(14)16/h9,11-12H,4-8H2,1-3H3/b10-9+/t11-,12-,15+/m0/s1 |
| InChI Key | FWCLKTGCAXVCAJ-ZORBJXORSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H22Cl3N |
| Molecular Weight | 322.70 g/mol |
| Exact Mass | 321.081783 g/mol |
| Topological Polar Surface Area (TPSA) | 12.40 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of N-[(E)-[(4aR,6S,8aR)-6-chloro-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ylidene]methyl]-1,1-dichloromethanimine](https://plantaedb.com/storage/docs/compounds/2023/11/28ebe460-8413-11ee-a9d3-8939d62f774f.jpg "2D Structure of N-[(E)-[(4aR,6S,8aR)-6-chloro-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ylidene]methyl]-1,1-dichloromethanimine")
| 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 | 96.54% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.15% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.73% | 83.57% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 89.76% | 95.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.98% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.87% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.97% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.77% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.93% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.70% | 95.89% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.23% | 95.88% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.20% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.78% | 95.58% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.01% | 97.79% |
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 | 44584725 |
| LOTUS | LTS0073577 |
| wikiData | Q105003099 |