17-Epi-Notoamide Q
| Internal ID | 03b00b89-beba-474d-a26e-fcced2b5df5f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | (3S,8aS)-3-[[(3S)-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-pyrano[2,3-g]indol-3-yl]methyl]-8a-methoxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H33N3O5/c1-7-24(2,3)26(15-18-21(31)30-14-8-12-27(30,34-6)23(33)28-18)17-9-10-19-16(20(17)29-22(26)32)11-13-25(4,5)35-19/h7,9-11,13,18H,1,8,12,14-15H2,2-6H3,(H,28,33)(H,29,32)/t18-,26-,27-/m0/s1 |
| InChI Key | OCKJJINPDXBXCN-OALGXETFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C27H33N3O5 |
| Molecular Weight | 479.60 g/mol |
| Exact Mass | 479.24202116 g/mol |
| Topological Polar Surface Area (TPSA) | 97.00 Ų |
| XlogP | 2.90 |
| CHEMBL2332631 |
| 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 | 98.63% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.06% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.82% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.76% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.49% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.58% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.84% | 91.03% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 91.68% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.44% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.02% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.94% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.54% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.73% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.41% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.36% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.23% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.69% | 96.77% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.89% | 98.59% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.89% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.19% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.42% | 97.28% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.96% | 82.69% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.94% | 90.08% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 82.24% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.88% | 90.71% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.71% | 98.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.30% | 94.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.09% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.68% | 88.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.31% | 85.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 71665368 |
| LOTUS | LTS0191739 |
| wikiData | Q77279710 |