1-hydroxy-3,5,6-trimethoxy-2-[(1R)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10-methylacridin-9-one
| Internal ID | fd7596d5-01c5-4394-8671-98ab1c7fba87 |
| 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]-10-methylacridin-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(N4C)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(N4C)C(=C(C=C5)OC)OC)OC)C |
| InChI | InChI=1S/C32H31NO8/c1-16(2)12-20(19-13-17-8-11-26(34)41-23(17)15-24(19)38-5)27-25(39-6)14-21-28(31(27)36)30(35)18-9-10-22(37-4)32(40-7)29(18)33(21)3/h8-15,20,36H,1-7H3/t20-/m1/s1 |
| InChI Key | DRQKNTLMXYUGTO-HXUWFJFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H31NO8 |
| Molecular Weight | 557.60 g/mol |
| Exact Mass | 557.20496695 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 6.60 |
| 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]-10-methylacridin-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/829f0730-8557-11ee-93c4-b1cd6abf96b4.jpg "2D Structure of 1-hydroxy-3,5,6-trimethoxy-2-[(1R)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10-methylacridin-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.88% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.16% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.43% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.24% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.60% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.30% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.65% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.05% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.65% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.16% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.60% | 93.99% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 89.94% | 80.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.90% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.17% | 90.71% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 87.80% | 95.39% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.45% | 99.23% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.90% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.90% | 98.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.71% | 93.65% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.67% | 93.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.87% | 94.42% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.57% | 96.00% |
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.
| Citrus × aurantium |
| PubChem | 163022846 |
| LOTUS | LTS0083787 |
| wikiData | Q104987578 |