6-[9-(3-bromo-1H-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-2-one
| Internal ID | 558f1fc6-8335-4651-9d85-5a3cf8fc702c |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 6-[9-(3-bromo-1H-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-2-one |
| SMILES (Canonical) | CC1=C(C=C(OC1=O)C(=CC=CC=CC=CC2=C(C=CN2)Br)C)OC |
| SMILES (Isomeric) | CC1=C(C=C(OC1=O)C(=CC=CC=CC=CC2=C(C=CN2)Br)C)OC |
| InChI | InChI=1S/C20H20BrNO3/c1-14(18-13-19(24-3)15(2)20(23)25-18)9-7-5-4-6-8-10-17-16(21)11-12-22-17/h4-13,22H,1-3H3 |
| InChI Key | KBQKGOONYFCSHH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20BrNO3 |
| Molecular Weight | 402.30 g/mol |
| Exact Mass | 401.06266 g/mol |
| Topological Polar Surface Area (TPSA) | 51.30 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 6-[9-(3-bromo-1H-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-9-3-bromo-1h-pyrrol-2-ylnona-2468-tetraen-2-yl-4-methoxy-3-methylpyran-2-one.jpg "2D Structure of 6-[9-(3-bromo-1H-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-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 | 95.55% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.28% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.98% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.93% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.57% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.07% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.45% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.34% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.31% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.56% | 89.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.13% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.98% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.10% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.41% | 94.73% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.74% | 93.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.19% | 92.51% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.82% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.51% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.13% | 95.50% |
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 | 163000062 |
| LOTUS | LTS0074554 |
| wikiData | Q104170123 |