(1S,9R,10S,16S)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
| Internal ID | a6e0f4e6-598b-412e-b14a-b4d06a2ccb6a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1S,9R,10S,16S)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one |
| SMILES (Canonical) | CC1CC2CC3=C(CCC(=O)N3)C4(C1)C2CCCN4C |
| SMILES (Isomeric) | C[C@H]1C[C@@H]2CC3=C(CCC(=O)N3)[C@]4(C1)[C@H]2CCCN4C |
| InChI | InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12+,13-,17-/m0/s1 |
| InChI Key | HXJHQEWSHQXRPH-LKQDWFRTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H26N2O |
| Molecular Weight | 274.40 g/mol |
| Exact Mass | 274.204513457 g/mol |
| Topological Polar Surface Area (TPSA) | 32.30 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1S,9R,10S,16S)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s9r10s16s-1416-dimethyl-614-diazatetracyclo7530110027heptadec-27-en-5-one.jpg "2D Structure of (1S,9R,10S,16S)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one")
| 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 | 98.44% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.94% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.37% | 83.82% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.26% | 95.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.24% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.74% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.69% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.60% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.95% | 95.56% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.96% | 95.51% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.20% | 94.78% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.16% | 91.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.11% | 97.05% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.33% | 95.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.01% | 100.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.89% | 90.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.20% | 93.04% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.76% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.72% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.06% | 92.94% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.69% | 94.66% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.77% | 95.88% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.61% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.48% | 99.23% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.59% | 90.24% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 81.46% | 94.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.36% | 90.71% |
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.
| Lycopodium clavatum |
| PubChem | 12313650 |
| LOTUS | LTS0064637 |
| wikiData | Q105035037 |