Naphthalene, decahydro-1-isocyano-4a-methyl-8-methylene-2-(1-methylethyl)-, (1alpha,2beta,4aalpha,8aalpha)-
| Internal ID | d45f3690-39f3-46a5-90c6-c166f7a92d33 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (3R,4R,4aR,8aR)-4-isocyano-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene |
| SMILES (Canonical) | CC(C)C1CCC2(CCCC(=C)C2C1[N+]#[C-])C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@]2(CCCC(=C)[C@H]2[C@@H]1[N+]#[C-])C |
| InChI | InChI=1S/C16H25N/c1-11(2)13-8-10-16(4)9-6-7-12(3)14(16)15(13)17-5/h11,13-15H,3,6-10H2,1-2,4H3/t13-,14+,15-,16-/m1/s1 |
| InChI Key | NGARBJVRZHLZOO-QKPAOTATSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H25N |
| Molecular Weight | 231.38 g/mol |
| Exact Mass | 231.198699802 g/mol |
| Topological Polar Surface Area (TPSA) | 4.40 Ų |
| XlogP | 4.50 |
| Naphthalene, decahydro-1-isocyano-4a-methyl-8-methylene-2-(1-methylethyl)-, (1alpha,2beta,4aalpha,8aalpha)- |
| DTXSID30911458 |
| 1-Isocyano-4a-methyl-8-methylidene-2-(propan-2-yl)decahydronaphthalene |
| 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 | 98.83% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.14% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.14% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.99% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.95% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.85% | 98.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.39% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.31% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.92% | 96.38% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.95% | 97.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.38% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.17% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.12% | 93.56% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 81.60% | 99.17% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.25% | 93.04% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.32% | 82.69% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.31% | 91.03% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.29% | 95.38% |
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 | 184155 |
| LOTUS | LTS0197270 |
| wikiData | Q82881590 |