4-[5-[[(1S)-6,7-dimethoxy-8-[(7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]benzaldehyde
Internal ID | 7d5d27df-8ce8-4094-b60c-a6291c4549d6 |
Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
IUPAC Name | 4-[5-[[(1S)-6,7-dimethoxy-8-[(7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]benzaldehyde |
SMILES (Canonical) | CN1CCC2=CC(=C(C(=C2C1CC3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)C=O)OC5=C(C=C6C(=C5)CCN(C6=O)C)OC)OC)OC |
SMILES (Isomeric) | CN1CCC2=CC(=C(C(=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)C=O)OC5=C(C=C6C(=C5)CCN(C6=O)C)OC)OC)OC |
InChI | InChI=1S/C38H40N2O8/c1-39-15-14-26-20-34(45-5)36(46-6)37(48-33-19-25-13-16-40(2)38(42)28(25)21-31(33)44-4)35(26)29(39)17-24-9-12-30(43-3)32(18-24)47-27-10-7-23(22-41)8-11-27/h7-12,18-22,29H,13-17H2,1-6H3/t29-/m0/s1 |
InChI Key | BMVOQTPJOGEVSX-LJAQVGFWSA-N |
Popularity | 0 references in papers |
Molecular Formula | C38H40N2O8 |
Molecular Weight | 652.70 g/mol |
Exact Mass | 652.27846624 g/mol |
Topological Polar Surface Area (TPSA) | 96.00 Ų |
XlogP | 5.70 |
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 | 98.60% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.52% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.66% | 86.33% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.24% | 93.40% |
CHEMBL4208 | P20618 | Proteasome component C5 | 94.82% | 90.00% |
CHEMBL2581 | P07339 | Cathepsin D | 94.10% | 98.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.92% | 95.89% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.85% | 91.49% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.08% | 99.17% |
CHEMBL2535 | P11166 | Glucose transporter | 91.44% | 98.75% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.89% | 95.89% |
CHEMBL5747 | Q92793 | CREB-binding protein | 90.64% | 95.12% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 90.08% | 90.95% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.14% | 83.82% |
CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 88.79% | 96.69% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 88.64% | 97.31% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 87.41% | 96.76% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.91% | 92.94% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.78% | 95.53% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.12% | 91.03% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.07% | 92.62% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.47% | 93.00% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.87% | 96.09% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.76% | 92.98% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.74% | 97.09% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.54% | 91.00% |
CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 83.53% | 91.43% |
CHEMBL5555 | O00767 | Acyl-CoA desaturase | 83.47% | 97.50% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.45% | 80.78% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.25% | 94.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.24% | 93.99% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.19% | 91.07% |
CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.94% | 95.34% |
CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.56% | 92.67% |
CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.44% | 96.67% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.44% | 90.71% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.36% | 97.25% |
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.
Thalictrum revolutum |
PubChem | 102401953 |
LOTUS | LTS0159092 |
wikiData | Q104249799 |