8-hydroxy-3-[2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-10-methoxy-3,12-dimethyl-2H-[1,4]dioxino[2,3-c]acridin-7-one
| Internal ID | 9e21af76-ec63-4893-97de-b6ac33cb8c61 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 8-hydroxy-3-[2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-10-methoxy-3,12-dimethyl-2H-[1,4]dioxino[2,3-c]acridin-7-one |
| SMILES (Canonical) | CC1(COC2=C(O1)C=CC3=C2N(C4=C(C3=O)C(=CC(=C4)OC)O)C)C=CC5=C(C=CC6=C5OC(=O)C=C6)O |
| SMILES (Isomeric) | CC1(COC2=C(O1)C=CC3=C2N(C4=C(C3=O)C(=CC(=C4)OC)O)C)C=CC5=C(C=CC6=C5OC(=O)C=C6)O |
| InChI | InChI=1S/C29H23NO8/c1-29(11-10-17-20(31)7-4-15-5-9-23(33)37-27(15)17)14-36-28-22(38-29)8-6-18-25(28)30(2)19-12-16(35-3)13-21(32)24(19)26(18)34/h4-13,31-32H,14H2,1-3H3 |
| InChI Key | AEXHLHGCDOTWGS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H23NO8 |
| Molecular Weight | 513.50 g/mol |
| Exact Mass | 513.14236669 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 8-hydroxy-3-[2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-10-methoxy-3,12-dimethyl-2H-[1,4]dioxino[2,3-c]acridin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/6c1b86a0-855b-11ee-ba4b-e53310a4cf40.jpg "2D Structure of 8-hydroxy-3-[2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-10-methoxy-3,12-dimethyl-2H-[1,4]dioxino[2,3-c]acridin-7-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.60% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.52% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.31% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.56% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.38% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.15% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.69% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.20% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.17% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.64% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 93.06% | 94.42% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 92.95% | 80.78% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.47% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.08% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.23% | 96.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 87.53% | 95.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.30% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.96% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.84% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.64% | 98.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.49% | 85.30% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.82% | 97.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.35% | 93.40% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.11% | 100.00% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.70% | 98.00% |
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 | 163040571 |
| LOTUS | LTS0107654 |
| wikiData | Q104910738 |