1-hydroxy-3,5,6-trimethoxy-2-[(1R)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-one
| Internal ID | 5d7e771b-493e-4789-b178-db577ba05609 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 1-hydroxy-3,5,6-trimethoxy-2-[(1R)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-one |
| SMILES (Canonical) | CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4)C(=C(C=C5)OC)OC)OC)C |
| SMILES (Isomeric) | CC(=C[C@H](C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4)C(=C(C=C5)OC)OC)OC)C |
| InChI | InChI=1S/C31H29NO8/c1-15(2)11-19(18-12-16-7-10-25(33)40-22(16)14-23(18)37-4)26-24(38-5)13-20-27(30(26)35)29(34)17-8-9-21(36-3)31(39-6)28(17)32-20/h7-14,19,35H,1-6H3,(H,32,34)/t19-/m1/s1 |
| InChI Key | GYFLCSOBRHGLCZ-LJQANCHMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H29NO8 |
| Molecular Weight | 543.60 g/mol |
| Exact Mass | 543.18931688 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of 1-hydroxy-3,5,6-trimethoxy-2-[(1R)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/31749740-8677-11ee-87f5-95573d771d92.jpg "2D Structure of 1-hydroxy-3,5,6-trimethoxy-2-[(1R)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-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 | 98.99% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.61% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.67% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.66% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.45% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.45% | 99.17% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 93.08% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.64% | 94.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.42% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.92% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.39% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.65% | 90.71% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 89.84% | 93.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.63% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.11% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.36% | 90.20% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.72% | 97.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.27% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.30% | 89.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.07% | 96.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.78% | 83.10% |
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.
| Citrus × aurantium |
| PubChem | 162910068 |
| LOTUS | LTS0221205 |
| wikiData | Q105023686 |