(4S)-2,2,6-trimethyl-4-[(2E)-2-(5-methyl-4-oxo-3H-furo[3,2-c]quinolin-2-ylidene)propyl]-3,4-dihydropyrano[3,2-c]quinolin-5-one
| Internal ID | 3c276f28-7b08-4a06-94b3-3bba3154280d |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | (4S)-2,2,6-trimethyl-4-[(2E)-2-(5-methyl-4-oxo-3H-furo[3,2-c]quinolin-2-ylidene)propyl]-3,4-dihydropyrano[3,2-c]quinolin-5-one |
| SMILES (Canonical) | CC(=C1CC2=C(O1)C3=CC=CC=C3N(C2=O)C)CC4CC(OC5=C4C(=O)N(C6=CC=CC=C65)C)(C)C |
| SMILES (Isomeric) | C/C(=C\1/CC2=C(O1)C3=CC=CC=C3N(C2=O)C)/C[C@H]4CC(OC5=C4C(=O)N(C6=CC=CC=C65)C)(C)C |
| InChI | InChI=1S/C30H30N2O4/c1-17(24-15-21-26(35-24)19-10-6-8-12-22(19)31(4)28(21)33)14-18-16-30(2,3)36-27-20-11-7-9-13-23(20)32(5)29(34)25(18)27/h6-13,18H,14-16H2,1-5H3/b24-17+/t18-/m0/s1 |
| InChI Key | UJTGFXHFPFFOBC-KHCKMINHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H30N2O4 |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.22055744 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (4S)-2,2,6-trimethyl-4-[(2E)-2-(5-methyl-4-oxo-3H-furo[3,2-c]quinolin-2-ylidene)propyl]-3,4-dihydropyrano[3,2-c]quinolin-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/9402afd0-86d4-11ee-a4c0-bbb126ec77de.jpg "2D Structure of (4S)-2,2,6-trimethyl-4-[(2E)-2-(5-methyl-4-oxo-3H-furo[3,2-c]quinolin-2-ylidene)propyl]-3,4-dihydropyrano[3,2-c]quinolin-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.36% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.02% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.34% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.04% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.93% | 91.49% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.87% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.07% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.38% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.01% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.66% | 90.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.27% | 85.14% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.49% | 85.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.73% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.88% | 86.33% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.53% | 96.37% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.59% | 94.00% |
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.
| Ptelea trifoliata |
| PubChem | 162889864 |
| LOTUS | LTS0184439 |
| wikiData | Q105274196 |