N-[(1aS,4R,4aR,7S,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl]formamide
| Internal ID | 1a674f38-a441-4110-b7c5-841ca671bd1a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Aromadendrane sesquiterpenoids > 5,10-cycloaromadendrane sesquiterpenoids |
| IUPAC Name | N-[(1aS,4R,4aR,7S,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl]formamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H27NO/c1-10-5-6-11-13(10)14-12(15(14,2)3)7-8-16(11,4)17-9-18/h9-14H,5-8H2,1-4H3,(H,17,18)/t10-,11+,12-,13-,14-,16+/m0/s1 |
| InChI Key | KDRPIAGOHIYGEH-NJPIGMNZSA-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 | 3.80 |
| There are no found synonyms. |
![2D Structure of N-[(1aS,4R,4aR,7S,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl]formamide](https://plantaedb.com/storage/docs/compounds/2023/11/86382760-874b-11ee-9759-6b6245a25259.jpg "2D Structure of N-[(1aS,4R,4aR,7S,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.75% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.92% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.54% | 91.11% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.95% | 93.67% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.93% | 96.61% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.80% | 94.80% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.80% | 90.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.34% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.11% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.32% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.68% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.58% | 96.43% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 83.67% | 95.27% |
| CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 83.44% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.72% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.33% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.31% | 98.99% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.94% | 82.69% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.53% | 95.71% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 81.29% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.95% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.29% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.23% | 97.09% |
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 | 162985220 |
| LOTUS | LTS0186813 |
| wikiData | Q105139352 |