N-Methylcoclaurine
| Internal ID | cccfbcc5-bb57-4096-aaef-fbe402aaaec9 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC |
| InChI | InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3 |
| InChI Key | BOKVLBSSPUTWLV-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C18H21NO3 |
| Molecular Weight | 299.40 g/mol |
| Exact Mass | 299.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 52.90 Ų |
| XlogP | 3.00 |
| DL-N-methylcoclaurine |
| METHYL COCLAURINE |
| ( inverted exclamation markA)-N-Methylcoclaurine |
| 1472-62-4 |
| 1-[(4-Hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol |
| Spectrum_000537 |
| SpecPlus_000023 |
| Spectrum3_001333 |
| Spectrum4_001494 |
| Spectrum5_000227 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.32% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.60% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.17% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 95.57% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.15% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.86% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.66% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.06% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.04% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.95% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.87% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.26% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.62% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.09% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.79% | 93.10% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.01% | 90.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.64% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.80% | 92.94% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.72% | 91.00% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.19% | 91.96% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 81.71% | 96.76% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.04% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.01% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.75% | 89.62% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 80.07% | 96.69% |
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.
| PubChem | 2752274 |
| LOTUS | LTS0108577 |
| wikiData | Q104253177 |