(6aS)-8-[4-[[(1S)-6-hydroxy-7-methoxy-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]quinoline-3,9-diol
| Internal ID | 18e31618-884c-457c-b489-c3134b1ed238 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aS)-8-[4-[[(1S)-6-hydroxy-7-methoxy-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]quinoline-3,9-diol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=C(C(=C(C=C4C3=C(C(=C2O)OC)OC)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)O)OC |
| SMILES (Isomeric) | CN1CCC2=C3[C@@H]1CC4=C(C(=C(C=C4C3=C(C(=C2O)OC)OC)OC)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)O)OC |
| InChI | InChI=1S/C38H42N2O8/c1-39-13-11-21-16-29(41)30(44-3)18-24(21)27(39)15-20-7-9-22(10-8-20)48-36-26-17-28-32-23(12-14-40(28)2)34(42)38(47-6)37(46-5)33(32)25(26)19-31(45-4)35(36)43/h7-10,16,18-19,27-28,41-43H,11-15,17H2,1-6H3/t27-,28-/m0/s1 |
| InChI Key | YQVMBBVXIUERPW-NSOVKSMOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H42N2O8 |
| Molecular Weight | 654.70 g/mol |
| Exact Mass | 654.29411630 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (6aS)-8-[4-[[(1S)-6-hydroxy-7-methoxy-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]quinoline-3,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/96d48830-8611-11ee-ba8f-27010373fef1.jpg "2D Structure of (6aS)-8-[4-[[(1S)-6-hydroxy-7-methoxy-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]quinoline-3,9-diol")
| 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 | 99.59% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 98.42% | 95.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 98.24% | 91.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.54% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.87% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 96.30% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 96.16% | 91.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.99% | 90.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 95.81% | 95.34% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 95.62% | 95.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.12% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.06% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.15% | 98.75% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 93.99% | 92.68% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 93.94% | 96.76% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 93.39% | 91.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.41% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.66% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.88% | 86.33% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 90.33% | 95.53% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.33% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.44% | 92.62% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.49% | 95.17% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 88.30% | 95.70% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 87.88% | 94.05% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.71% | 88.48% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 87.49% | 97.53% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.28% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.15% | 83.82% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.02% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.00% | 95.78% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.64% | 82.38% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 83.77% | 83.14% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.64% | 90.95% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.49% | 91.96% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.06% | 92.94% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.59% | 96.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.54% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.19% | 90.71% |
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 | 10532331 |
| LOTUS | LTS0266212 |
| wikiData | Q105352611 |