Graveolinine
| Internal ID | 653a8aa8-07c1-4fb9-89bb-98d33247e3c4 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-4-methoxyquinoline |
| SMILES (Canonical) | COC1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | COC1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C17H13NO3/c1-19-16-9-14(18-13-5-3-2-4-12(13)16)11-6-7-15-17(8-11)21-10-20-15/h2-9H,10H2,1H3 |
| InChI Key | QGCORDIPOBZNKC-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C17H13NO3 |
| Molecular Weight | 279.29 g/mol |
| Exact Mass | 279.08954328 g/mol |
| Topological Polar Surface Area (TPSA) | 40.60 Ų |
| XlogP | 3.90 |
| 4179-37-7 |
| 2-(1,3-benzodioxol-5-yl)-4-methoxyquinoline |
| 8J9MPP91DN |
| 2-(1,3-benzodioxol-5-yl)-4-methoxy-quinoline |
| UNII-8J9MPP91DN |
| Quinoline, 2-(1,3-benzodioxol-5-yl)-4-methoxy- |
| Oprea1_242467 |
| CHEMBL2205100 |
| CHEBI:173977 |
| DTXSID201261279 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.26% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.25% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.80% | 91.11% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 94.98% | 80.96% |
| CHEMBL240 | Q12809 | HERG | 94.42% | 89.76% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.88% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.87% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.15% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.72% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.19% | 96.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.55% | 85.30% |
| CHEMBL3706 | P78536 | ADAM17 | 87.76% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.48% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.66% | 96.77% |
| CHEMBL5543 | Q9Y463 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 85.98% | 94.70% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.56% | 94.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.92% | 93.99% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.90% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.89% | 99.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.08% | 96.25% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 82.63% | 89.44% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.22% | 88.48% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.77% | 90.95% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 81.30% | 93.24% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.88% | 93.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.52% | 89.00% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 80.11% | 87.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.02% | 99.17% |
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.
| Ruta chalepensis |
| Ruta graveolens |
| PubChem | 11044132 |
| LOTUS | LTS0079592 |
| wikiData | Q104396992 |