N-[(1R,4aR,7S,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]formamide
| Internal ID | b649aac9-e200-4b1a-811f-7736b2c4f53a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | N-[(1R,4aR,7S,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]formamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H27NO/c1-12(2)13-6-9-15(3)7-5-8-16(4,17-11-18)14(15)10-13/h11,13-14H,1,5-10H2,2-4H3,(H,17,18)/t13-,14+,15+,16+/m0/s1 |
| InChI Key | ZFTMEUDAZINSIJ-ZJIFWQFVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H27NO |
| Molecular Weight | 249.39 g/mol |
| Exact Mass | 249.209264485 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of N-[(1R,4aR,7S,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]formamide](https://plantaedb.com/storage/docs/compounds/2023/11/a33ec230-864e-11ee-a518-f5b59cb81af3.jpg "2D Structure of N-[(1R,4aR,7S,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]formamide")
| 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 | 96.37% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.14% | 91.11% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 88.31% | 95.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.41% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.13% | 91.19% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.75% | 85.30% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.56% | 91.49% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.43% | 98.10% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.35% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.13% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.21% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.62% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.52% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.29% | 91.03% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.04% | 97.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.02% | 100.00% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.66% | 99.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.38% | 95.56% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.16% | 98.99% |
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 | 12049724 |
| LOTUS | LTS0089927 |
| wikiData | Q105374688 |