4,5-Dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[2-(2,4,4-trimethyl-3-oxabicyclo[3.1.0]hexan-2-yl)ethenyl]-1,3-dihydroquinolin-2-one
| Internal ID | aa70064e-2bdf-4137-803a-ccef82b19f7a |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines |
| IUPAC Name | 4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[2-(2,4,4-trimethyl-3-oxabicyclo[3.1.0]hexan-2-yl)ethenyl]-1,3-dihydroquinolin-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H31NO6/c1-25(2)18-14-19(18)26(3,34-25)13-12-15-6-11-20-21(22(15)29)27(31,23(33-5)24(30)28-20)16-7-9-17(32-4)10-8-16/h6-13,18-19,23,29,31H,14H2,1-5H3,(H,28,30) |
| InChI Key | AISVMTZASACEBH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H31NO6 |
| Molecular Weight | 465.50 g/mol |
| Exact Mass | 465.21513771 g/mol |
| Topological Polar Surface Area (TPSA) | 97.30 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 4,5-Dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[2-(2,4,4-trimethyl-3-oxabicyclo[3.1.0]hexan-2-yl)ethenyl]-1,3-dihydroquinolin-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/c366c720-85e8-11ee-85f4-bd68ed776732.jpg "2D Structure of 4,5-Dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[2-(2,4,4-trimethyl-3-oxabicyclo[3.1.0]hexan-2-yl)ethenyl]-1,3-dihydroquinolin-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 | 99.76% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.46% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.85% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.75% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.86% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.99% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.60% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.47% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.05% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.40% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.53% | 95.93% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.80% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.69% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.82% | 95.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.21% | 92.88% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.86% | 85.30% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.51% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.01% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.08% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.01% | 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.
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| There are no matching plants. |
| PubChem | 73237748 |
| LOTUS | LTS0179297 |
| wikiData | Q103816157 |