(1R,2S,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
Internal ID | ac571889-dd47-4337-8432-bb04182bbb0a |
Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
IUPAC Name | (1R,2S,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one |
SMILES (Canonical) | CC1CC2CC(=O)C3C24CCCN(C4(C1)O)CCC3 |
SMILES (Isomeric) | C[C@@H]1C[C@H]2CC(=O)[C@H]3[C@@]24CCCN([C@@]4(C1)O)CCC3 |
InChI | InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-15(12,13)16(17,19)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13+,15-,16+/m1/s1 |
InChI Key | ZLMYGBDFISIGLH-GADBESIXSA-N |
Popularity | 0 references in papers |
Molecular Formula | C16H25NO2 |
Molecular Weight | 263.37 g/mol |
Exact Mass | 263.188529040 g/mol |
Topological Polar Surface Area (TPSA) | 40.50 Ų |
XlogP | 1.90 |
There are no found synonyms. |
![2D Structure of (1R,2S,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one 2D Structure of (1R,2S,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s4r6s9r-2-hydroxy-4-methyl-13-azatetracyclo7700160213hexadecan-8-one.jpg)
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 | 97.44% | 97.25% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.23% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.81% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.45% | 96.09% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.81% | 93.04% |
CHEMBL238 | Q01959 | Dopamine transporter | 87.86% | 95.88% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.40% | 97.05% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.55% | 93.03% |
CHEMBL2581 | P07339 | Cathepsin D | 85.23% | 98.95% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.90% | 92.94% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.40% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.11% | 100.00% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.99% | 95.58% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.52% | 90.24% |
CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 83.44% | 99.29% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.62% | 82.69% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.42% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.32% | 90.00% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.90% | 93.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.16% | 89.00% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.09% | 94.78% |
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 | 162908907 |
LOTUS | LTS0189408 |
wikiData | Q105378982 |