NCGC00169307-02_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-
| Internal ID | 45834206-46a9-4d5b-aeac-4acc628e9e8a |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines |
| IUPAC Name | 10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methylpent-3-enyl)-7,9-dihydropyrano[2,3-f]quinolin-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H31NO5/c1-17(2)7-6-15-26(3)16-14-18-8-13-21-22(23(18)33-26)27(30,24(32-5)25(29)28-21)19-9-11-20(31-4)12-10-19/h7-14,16,24,30H,6,15H2,1-5H3,(H,28,29) |
| InChI Key | CPWPNTRWIIAFEG-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C27H31NO5 |
| Molecular Weight | 449.50 g/mol |
| Exact Mass | 449.22022309 g/mol |
| Topological Polar Surface Area (TPSA) | 77.00 Ų |
| XlogP | 4.30 |
| ACon1_000840 |
| NCGC00169307-01 |
| NCGC00169307-02 |
| NCGC00169307-02_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)- |
![2D Structure of NCGC00169307-02_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-](https://plantaedb.com/storage/docs/compounds/2023/11/516d7cf0-82f3-11ee-8cd7-3d3377938022.jpg "2D Structure of NCGC00169307-02_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-")
| 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 | 99.06% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.59% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.47% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.77% | 85.14% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 93.69% | 92.88% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.53% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.02% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.43% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.40% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.79% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.73% | 98.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.43% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.07% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.47% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.15% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.90% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.29% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.03% | 99.17% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.21% | 97.28% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.99% | 91.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.90% | 91.24% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.28% | 98.59% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 23760094 |
| LOTUS | LTS0113547 |
| wikiData | Q105103047 |