8-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
| Internal ID | ba41f1c4-d10a-4ed0-9d64-bcd36772ef39 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 8-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=C(C3=C(C(=C2OC)OC)OC)C(=C(C=C4OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC)O |
| SMILES (Isomeric) | CN1CCC2=C3C1CC4=C(C3=C(C(=C2OC)OC)OC)C(=C(C=C4OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC)O |
| InChI | InChI=1S/C40H46N2O9/c1-41-13-11-22-17-31(46-4)28(43)19-24(22)26(41)15-21-9-10-29(45-3)32(16-21)51-30-20-33(47-5)37(44)35-25(30)18-27-34-23(12-14-42(27)2)38(48-6)40(50-8)39(49-7)36(34)35/h9-10,16-17,19-20,26-27,43-44H,11-15,18H2,1-8H3 |
| InChI Key | OHRAOGOGUKPFCC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H46N2O9 |
| Molecular Weight | 698.80 g/mol |
| Exact Mass | 698.32033105 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 8-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol](https://plantaedb.com/storage/docs/compounds/2023/11/069607b0-86d9-11ee-b9ef-ebc70dba7762.jpg "2D Structure of 8-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol")
| 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% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.11% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 98.40% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.19% | 98.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.92% | 91.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.84% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.68% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.65% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.74% | 86.33% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 92.70% | 95.34% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.10% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.36% | 94.45% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 90.81% | 91.79% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 89.84% | 96.76% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.89% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.55% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.21% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.04% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.96% | 99.17% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.36% | 95.12% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 86.26% | 94.05% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.58% | 91.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.52% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.20% | 89.50% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.79% | 92.68% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.38% | 90.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.97% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.72% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.32% | 93.65% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.95% | 89.62% |
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 urbaini |
| PubChem | 73804841 |
| LOTUS | LTS0205989 |
| wikiData | Q105192217 |