Grandisinine
| Internal ID | c5255c1b-e177-4af0-bed1-8c00f2c1a0ea |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 1,6-dihydroxy-3,5-dimethoxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one |
| SMILES (Canonical) | CC(=CCC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC(=C3OC)O)C)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC(=C3OC)O)C)O)OC)C |
| InChI | InChI=1S/C21H23NO5/c1-11(2)6-7-12-16(26-4)10-15(24)17-18(12)22(3)19-13(20(17)25)8-9-14(23)21(19)27-5/h6,8-10,23-24H,7H2,1-5H3 |
| InChI Key | DRARSUWLNZTZMD-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H23NO5 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.52% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.00% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.47% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.09% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.90% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.85% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.44% | 93.99% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.99% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.51% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.79% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.45% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.14% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.06% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.01% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.86% | 90.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.82% | 80.78% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.72% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.94% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.09% | 96.12% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.74% | 85.14% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.17% | 92.38% |
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 |
| Citrus maxima |
| PubChem | 13965866 |
| LOTUS | LTS0062190 |
| wikiData | Q104395924 |