(6S)-6-[(4-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
| Internal ID | 4d995011-7369-4c04-92ac-024db817f15c |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (6S)-6-[(4-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium |
| SMILES (Canonical) | C[N+]1(CCC2=CC3=C(C=C2C1)OCO3)CC4=CC=C(C=C4)OC |
| SMILES (Isomeric) | C[N@+]1(CCC2=CC3=C(C=C2C1)OCO3)CC4=CC=C(C=C4)OC |
| InChI | InChI=1S/C19H22NO3/c1-20(11-14-3-5-17(21-2)6-4-14)8-7-15-9-18-19(23-13-22-18)10-16(15)12-20/h3-6,9-10H,7-8,11-13H2,1-2H3/q+1/t20-/m0/s1 |
| InChI Key | LTBVHEXEWCUCIZ-FQEVSTJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22NO3+ |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.15996856 g/mol |
| Topological Polar Surface Area (TPSA) | 27.70 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (6S)-6-[(4-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium](https://plantaedb.com/storage/docs/compounds/2023/11/6s-6-4-methoxyphenylmethyl-6-methyl-78-dihydro-5h-13dioxolo45-gisoquinolin-6-ium.jpg "2D Structure of (6S)-6-[(4-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium")
| 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 | 97.54% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.93% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.92% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.34% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.29% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.63% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.66% | 95.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.74% | 80.96% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.66% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.49% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.43% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.36% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.94% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.55% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.49% | 94.80% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.81% | 98.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.21% | 85.30% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.31% | 90.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.94% | 93.40% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.08% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.21% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.10% | 94.73% |
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.
| Sarcocapnos enneaphylla subsp. saetabensis |
| PubChem | 162811521 |
| LOTUS | LTS0174942 |
| wikiData | Q105156876 |