(1R,9S,10S)-10-hydroxy-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),16-dien-5-one
| Internal ID | 555b1fe7-fabf-4f47-b123-e280fd3cdcf9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1R,9S,10S)-10-hydroxy-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),16-dien-5-one |
| SMILES (Canonical) | CC1=CC2CC3=C(CCC(=O)N3)C4(C1)C2(CCCN4)O |
| SMILES (Isomeric) | CC1=C[C@@H]2CC3=C(CCC(=O)N3)[C@]4(C1)[C@@]2(CCCN4)O |
| InChI | InChI=1S/C16H22N2O2/c1-10-7-11-8-13-12(3-4-14(19)18-13)15(9-10)16(11,20)5-2-6-17-15/h7,11,17,20H,2-6,8-9H2,1H3,(H,18,19)/t11-,15-,16+/m1/s1 |
| InChI Key | IAOPFZUIWAOEEV-LYRGGWFBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H22N2O2 |
| Molecular Weight | 274.36 g/mol |
| Exact Mass | 274.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 61.40 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of (1R,9S,10S)-10-hydroxy-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),16-dien-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r9s10s-10-hydroxy-16-methyl-614-diazatetracyclo7530110027heptadeca-2716-dien-5-one.jpg "2D Structure of (1R,9S,10S)-10-hydroxy-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),16-dien-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 | 95.60% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.83% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.70% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.99% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.09% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.84% | 94.75% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.75% | 97.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.58% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.94% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.19% | 93.40% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.69% | 93.04% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.49% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.24% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.85% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.81% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.84% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.16% | 99.23% |
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.
| Huperzia serrata |
| PubChem | 101251438 |
| LOTUS | LTS0024320 |
| wikiData | Q105036209 |