(6R)-4-methoxy-6-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-f]isoquinoline
| Internal ID | 34f56e45-9bc4-42f5-bc92-da2dc66b92ca |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (6R)-4-methoxy-6-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-f]isoquinoline |
| SMILES (Canonical) | COC1=CC=C(C=C1)CC2C3=CC(=C4C(=C3CCN2)OCO4)OC |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C[C@@H]2C3=CC(=C4C(=C3CCN2)OCO4)OC |
| InChI | InChI=1S/C19H21NO4/c1-21-13-5-3-12(4-6-13)9-16-15-10-17(22-2)19-18(23-11-24-19)14(15)7-8-20-16/h3-6,10,16,20H,7-9,11H2,1-2H3/t16-/m1/s1 |
| InChI Key | ZAIGZJLSPKOFNA-MRXNPFEDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 49.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (6R)-4-methoxy-6-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-f]isoquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/6r-4-methoxy-6-4-methoxyphenylmethyl-6789-tetrahydro-13dioxolo45-fisoquinoline.jpg "2D Structure of (6R)-4-methoxy-6-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-f]isoquinoline")
| 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 | 98.41% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.70% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.61% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.89% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.86% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.96% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.43% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.97% | 95.56% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.28% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.35% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.14% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.11% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.85% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.49% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.81% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.79% | 98.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.39% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.09% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.55% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.38% | 95.89% |
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.
| Xylopia parviflora |
| PubChem | 162979113 |
| LOTUS | LTS0204372 |
| wikiData | Q105369893 |