Phlegmariurine A
| Internal ID | 309b4653-7b6d-42dd-b878-4700cc796d05 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > Tertiary carboxylic acid amides |
| IUPAC Name | (1S,6R)-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-ene-2,8-dione |
| SMILES (Canonical) | CC1CC2=C3CCCN(CCCC3C(=O)C2)C(=O)C1 |
| SMILES (Isomeric) | C[C@@H]1CC2=C3CCCN(CCC[C@@H]3C(=O)C2)C(=O)C1 |
| InChI | InChI=1S/C16H23NO2/c1-11-8-12-10-15(18)14-5-3-7-17(16(19)9-11)6-2-4-13(12)14/h11,14H,2-10H2,1H3/t11-,14+/m1/s1 |
| InChI Key | OFVBIHDTBLOLMM-RISCZKNCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H23NO2 |
| Molecular Weight | 261.36 g/mol |
| Exact Mass | 261.172878976 g/mol |
| Topological Polar Surface Area (TPSA) | 37.40 Ų |
| XlogP | 1.00 |
| 93754-82-6 |
| DTXSID10918162 |
| 7-Methyl-2,3,7,8,9,11-hexahydro-4,11-propanocyclopenta[e]azecine-5,10(1H,6H)-dione |
| 4,11-Propano-4H-cyclopent(e)azecine-5,10(1H, 6H)-dione, 2,3,7,8,9,11-hexahydro-7-methyl-, (7R,11S)- |
| 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 |
|---|---|---|---|---|
| CHEMBL217 | P14416 | Dopamine D2 receptor | 97.04% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.03% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.61% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.13% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.31% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.70% | 96.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.74% | 97.05% |
| CHEMBL238 | Q01959 | Dopamine transporter | 87.59% | 95.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.08% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.03% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.87% | 99.23% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.66% | 95.51% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.54% | 93.04% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.09% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.35% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.09% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.45% | 90.71% |
| CHEMBL234 | P35462 | Dopamine D3 receptor | 81.89% | 90.48% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.78% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.53% | 90.24% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 80.16% | 97.50% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.09% | 86.00% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 80.08% | 95.27% |
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 | 179733 |
| LOTUS | LTS0166796 |
| wikiData | Q82890105 |