(4R,5S)-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one
| Internal ID | 00a46f8e-6245-4dc3-8201-6add6c28aa44 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (4R,5S)-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one |
| SMILES (Canonical) | CC1=CC2(C(CC3=CNC4=CC=CC2=C34)NC)OC1=O |
| SMILES (Isomeric) | CC1=C[C@]2([C@@H](CC3=CNC4=CC=CC2=C34)NC)OC1=O |
| InChI | InChI=1S/C16H16N2O2/c1-9-7-16(20-15(9)19)11-4-3-5-12-14(11)10(8-18-12)6-13(16)17-2/h3-5,7-8,13,17-18H,6H2,1-2H3/t13-,16+/m1/s1 |
| InChI Key | QTWQJTORJVFWAQ-CJNGLKHVSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H16N2O2 |
| Molecular Weight | 268.31 g/mol |
| Exact Mass | 268.121177757 g/mol |
| Topological Polar Surface Area (TPSA) | 54.10 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (4R,5S)-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/4r5s-3-methyl-4-methylaminospiro34-dihydro-1h-benzocdindole-55-furan-2-one.jpg "2D Structure of (4R,5S)-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.43% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.40% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.17% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.32% | 98.95% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 91.34% | 96.39% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.31% | 93.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.30% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.69% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.16% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.61% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.20% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.88% | 94.73% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 84.20% | 95.55% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.17% | 94.80% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.63% | 85.11% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.52% | 88.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.16% | 98.59% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.71% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.49% | 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.
| There are no matching plants. |
| PubChem | 9993173 |
| LOTUS | LTS0217019 |
| wikiData | Q105227958 |