Marshdine
| Internal ID | 3ee5159f-d80a-4a4c-a689-3bd02f48df5c |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one |
| SMILES (Canonical) | CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C4=C(C=C3)OCO4 |
| SMILES (Isomeric) | CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C4=C(C=C3)OCO4 |
| InChI | InChI=1S/C16H13NO5/c1-17-10-5-8(20-2)6-11(18)13(10)15(19)9-3-4-12-16(14(9)17)22-7-21-12/h3-6,18H,7H2,1-2H3 |
| InChI Key | HIDPWENUZOGSOF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H13NO5 |
| Molecular Weight | 299.28 g/mol |
| Exact Mass | 299.07937252 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 3.10 |
| DTXSID501166117 |
| 1-Hydroxy-3-methoxy-10-methyl-5,6-methylenedioxyacridone |
| 7-Hydroxy-9-methoxy-11-methyl-1,3-dioxolo[4,5-c]acridin-6(11H)-one |
| 160927-87-7 |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.67% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.05% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.92% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.13% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.10% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.86% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.70% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.53% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.10% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.35% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.57% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.77% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.70% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.88% | 86.33% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 87.75% | 93.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.95% | 92.62% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.94% | 94.42% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.74% | 98.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.62% | 93.65% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.40% | 92.68% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.37% | 99.23% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.45% | 80.78% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.20% | 89.62% |
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 | 131753041 |
| LOTUS | LTS0133079 |
| wikiData | Q105028778 |