(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
Internal ID | e3a58f3d-2c5f-46e6-bdf2-6098b4f09ee4 |
Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
IUPAC Name | (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol |
SMILES (Canonical) | CN1CCC2=C(C1CC3=CC(=C(C=C3)OC)O)C(=C(C=C2)OC)O |
SMILES (Isomeric) | CN1CCC2=C([C@@H]1CC3=CC(=C(C=C3)OC)O)C(=C(C=C2)OC)O |
InChI | InChI=1S/C19H23NO4/c1-20-9-8-13-5-7-17(24-3)19(22)18(13)14(20)10-12-4-6-16(23-2)15(21)11-12/h4-7,11,14,21-22H,8-10H2,1-3H3/t14-/m0/s1 |
InChI Key | KLOWVUBJQSKTTK-AWEZNQCLSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H23NO4 |
Molecular Weight | 329.40 g/mol |
Exact Mass | 329.16270821 g/mol |
Topological Polar Surface Area (TPSA) | 62.20 Ų |
XlogP | 3.00 |
There are no found synonyms. |
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 | 99.27% | 96.09% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 94.96% | 96.76% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.83% | 95.89% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.00% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 92.23% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.92% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.35% | 94.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.23% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.71% | 90.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.14% | 93.99% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.28% | 83.82% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.77% | 92.94% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.28% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.73% | 86.33% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.38% | 85.14% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.59% | 93.40% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.26% | 94.45% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 85.43% | 95.62% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.46% | 99.17% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.57% | 90.95% |
CHEMBL205 | P00918 | Carbonic anhydrase II | 83.36% | 98.44% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.04% | 92.62% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.00% | 91.03% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.53% | 90.24% |
CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.01% | 97.50% |
CHEMBL2535 | P11166 | Glucose transporter | 80.84% | 98.75% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.14% | 91.00% |
CHEMBL5747 | Q92793 | CREB-binding protein | 80.03% | 95.12% |
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.
Ceratocapnos claviculata |
Sarcocapnos crassifolia |
Tephrosia crassifolia |
PubChem | 11771841 |
LOTUS | LTS0092328 |
wikiData | Q105142729 |