1-(1,6-Dihydroxy-3,5-dimethoxy-10-methyl-9-oxoacridin-2-yl)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
| Internal ID | 5ef78a8b-d8ec-4748-8ac4-927594f5f20c |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 1-(1,6-dihydroxy-3,5-dimethoxy-10-methyl-9-oxoacridin-2-yl)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one |
| SMILES (Canonical) | CC(C)(C1C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6C)C(=C(C=C7)O)OC)OC)O |
| SMILES (Isomeric) | CC(C)(C1C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6C)C(=C(C=C7)O)OC)OC)O |
| InChI | InChI=1S/C36H34N2O11/c1-36(2,45)35-26(24-21(49-35)13-19(41)23-29(24)38(4)28-15(31(23)43)9-11-18(40)34(28)48-7)25-20(46-5)12-16-22(32(25)44)30(42)14-8-10-17(39)33(47-6)27(14)37(16)3/h8-13,26,35,39-41,44-45H,1-7H3 |
| InChI Key | CWDCMHOLSPPPAS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H34N2O11 |
| Molecular Weight | 670.70 g/mol |
| Exact Mass | 670.21625990 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 1-(1,6-Dihydroxy-3,5-dimethoxy-10-methyl-9-oxoacridin-2-yl)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/53284100-86ec-11ee-b8ca-fbe80b7a6d9c.jpg "2D Structure of 1-(1,6-Dihydroxy-3,5-dimethoxy-10-methyl-9-oxoacridin-2-yl)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-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 |
|---|---|---|---|---|
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.15% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.12% | 95.56% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 96.75% | 80.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.08% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.91% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.11% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.40% | 93.99% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 93.13% | 93.65% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.54% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.21% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.31% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.64% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.17% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.84% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.27% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.25% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.79% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.45% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.30% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.49% | 92.62% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.48% | 94.42% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.31% | 95.71% |
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 maxima |
| PubChem | 131753143 |
| LOTUS | LTS0083896 |
| wikiData | Q104971174 |