8-[4-[(5-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
Internal ID | 1233163e-f121-4ca7-b2b0-a7ac65ff55cd |
Taxonomy | Alkaloids and derivatives > Aporphines |
IUPAC Name | 8-[4-[(5-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol |
SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=C(C(=C(C=C43)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C(=C7CCN6C)O)OC)OC)OC)OC |
SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2C1CC4=C(C(=C(C=C43)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C(=C7CCN6C)O)OC)OC)OC)OC |
InChI | InChI=1S/C39H44N2O8/c1-40-15-13-24-25(19-32(46-5)39(48-7)35(24)42)28(40)16-21-8-10-23(11-9-21)49-37-27-18-29-33-22(12-14-41(29)2)17-31(45-4)38(47-6)34(33)26(27)20-30(44-3)36(37)43/h8-11,17,19-20,28-29,42-43H,12-16,18H2,1-7H3 |
InChI Key | OCQIGPWTTUGDSS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C39H44N2O8 |
Molecular Weight | 668.80 g/mol |
Exact Mass | 668.30976637 g/mol |
Topological Polar Surface Area (TPSA) | 102.00 Ų |
XlogP | 6.00 |
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 | 99.48% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.57% | 85.14% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 98.02% | 95.62% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.26% | 91.11% |
CHEMBL5747 | Q92793 | CREB-binding protein | 97.01% | 95.12% |
CHEMBL2581 | P07339 | Cathepsin D | 96.37% | 98.95% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.64% | 91.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 95.63% | 95.89% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.44% | 91.79% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.85% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 94.37% | 90.00% |
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 94.10% | 92.68% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.53% | 99.17% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.31% | 91.49% |
CHEMBL2535 | P11166 | Glucose transporter | 92.15% | 98.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.99% | 94.00% |
CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 91.76% | 95.34% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 90.41% | 96.76% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 90.05% | 88.48% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.05% | 91.03% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.72% | 86.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.01% | 92.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.99% | 95.56% |
CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 87.60% | 94.05% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 87.28% | 95.53% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.00% | 82.38% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.58% | 95.17% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.75% | 95.78% |
CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 85.61% | 95.70% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.09% | 97.53% |
CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 84.52% | 96.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.95% | 94.45% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.51% | 93.40% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.22% | 97.09% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.02% | 90.95% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.80% | 92.94% |
CHEMBL3820 | P35557 | Hexokinase type IV | 81.35% | 91.96% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.86% | 97.31% |
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 faberi |
PubChem | 85237477 |
LOTUS | LTS0231014 |
wikiData | Q105189511 |