(S)-3'-Hydroxy-N-methylcoclaurine
| Internal ID | ce27cdc1-8bf4-4930-ae65-1cd9a14ed93e |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzene-1,2-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)O)O)O)OC |
| InChI | InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/t14-/m0/s1 |
| InChI Key | DAUPWJBRVZCBQB-AWEZNQCLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H21NO4 |
| Molecular Weight | 315.40 g/mol |
| Exact Mass | 315.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 73.20 Ų |
| XlogP | 2.70 |
| 3'-Hydroxy-N-methyl-(S)-coclaurine |
| 1936-17-0 |
| (S)-3-hydroxy-N-methylcoclaurine |
| 3'-hydroxy-(S)-N-methylcoclaurine |
| 1,2-Benzenediol, 4-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]- |
| 4-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}benzene-1,2-diol |
| 3'-Hydroxy-N-methylcoclaurine |
| C05202 |
| SCHEMBL18179207 |
| CHEBI:17079 |
| 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 | 99.33% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.63% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.31% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.30% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.81% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.37% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.20% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.65% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.14% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.81% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.80% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.56% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.25% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.29% | 91.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.52% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.24% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.89% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.31% | 99.17% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.24% | 93.40% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 80.67% | 96.76% |
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.
| Aristolochia gigantea |
| Clematis parviloba |
| Delphinium pentagynum |
| Macleaya cordata |
| Romneya coulteri |
| Xylopia parviflora |
| PubChem | 440591 |
| LOTUS | LTS0174249 |
| wikiData | Q27102201 |