1-hydroxy-4-[(8R,9R)-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl]-3,5,6-trimethoxy-10-methylacridin-9-one
| Internal ID | fc97ad02-77b8-4ef2-ae2b-49492127b533 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 1-hydroxy-4-[(8R,9R)-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl]-3,5,6-trimethoxy-10-methylacridin-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H29NO9/c1-31(2,36)30-24(23-17(40-30)10-7-14-8-12-20(34)41-28(14)23)22-19(38-5)13-16(33)21-26(22)32(3)25-15(27(21)35)9-11-18(37-4)29(25)39-6/h7-13,24,30,33,36H,1-6H3/t24-,30-/m1/s1 |
| InChI Key | XRRKNHPPSZSNHE-AYWVHJORSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H29NO9 |
| Molecular Weight | 559.60 g/mol |
| Exact Mass | 559.18423150 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 1-hydroxy-4-[(8R,9R)-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl]-3,5,6-trimethoxy-10-methylacridin-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/c09dff00-8756-11ee-a473-5b081695d20e.jpg "2D Structure of 1-hydroxy-4-[(8R,9R)-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl]-3,5,6-trimethoxy-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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.10% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.76% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.38% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.32% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.13% | 89.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.93% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.89% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.42% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.99% | 98.75% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 91.73% | 80.78% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.37% | 93.65% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.75% | 95.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.52% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.87% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.81% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.12% | 91.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.07% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.28% | 99.17% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.20% | 97.33% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 82.81% | 98.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.78% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.50% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.16% | 96.09% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.02% | 92.38% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.28% | 95.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.03% | 99.15% |
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 | 163027316 |
| LOTUS | LTS0117522 |
| wikiData | Q105340699 |