(1S,2S,3R,5Z)-2-chloro-5-[1-chloro-2-(dichloromethylideneamino)ethylidene]-3-methyl-3-(4-methylpent-3-enyl)cyclohexan-1-ol
| Internal ID | d2f9afee-ae5b-4556-a38d-755a3c34d8d2 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Isocyanide dichlorides |
| IUPAC Name | (1S,2S,3R,5Z)-2-chloro-5-[1-chloro-2-(dichloromethylideneamino)ethylidene]-3-methyl-3-(4-methylpent-3-enyl)cyclohexan-1-ol |
| SMILES (Canonical) | CC(=CCCC1(CC(=C(CN=C(Cl)Cl)Cl)CC(C1Cl)O)C)C |
| SMILES (Isomeric) | CC(=CCC[C@@]1(C/C(=C(\CN=C(Cl)Cl)/Cl)/C[C@@H]([C@H]1Cl)O)C)C |
| InChI | InChI=1S/C16H23Cl4NO/c1-10(2)5-4-6-16(3)8-11(7-13(22)14(16)18)12(17)9-21-15(19)20/h5,13-14,22H,4,6-9H2,1-3H3/b12-11+/t13-,14+,16+/m0/s1 |
| InChI Key | NWMWDIMFPYWPMI-RVLRRZAOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H23Cl4NO |
| Molecular Weight | 387.20 g/mol |
| Exact Mass | 387.050425 g/mol |
| Topological Polar Surface Area (TPSA) | 32.60 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of (1S,2S,3R,5Z)-2-chloro-5-[1-chloro-2-(dichloromethylideneamino)ethylidene]-3-methyl-3-(4-methylpent-3-enyl)cyclohexan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/78627580-8623-11ee-9231-89fe2c9f417b.jpg "2D Structure of (1S,2S,3R,5Z)-2-chloro-5-[1-chloro-2-(dichloromethylideneamino)ethylidene]-3-methyl-3-(4-methylpent-3-enyl)cyclohexan-1-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.85% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.99% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.57% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.29% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.91% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.20% | 96.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.85% | 97.79% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.02% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.92% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.33% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.58% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.25% | 95.89% |
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 | 23425016 |
| LOTUS | LTS0079975 |
| wikiData | Q105186692 |