(1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4-hydroxy-3-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
| Internal ID | 091a41ae-e4fc-475a-8ec1-63bce6dc8149 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4-hydroxy-3-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)O)CC6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)O)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC |
| InChI | InChI=1S/C39H44N2O8/c1-40-12-10-21-16-31(44-3)30(43)19-25(21)27(40)14-23-8-9-29(42)38(47-6)37(23)49-33-18-24-15-28-35-22(11-13-41(28)2)17-34(46-5)39(48-7)36(35)26(24)20-32(33)45-4/h8-9,16-20,27-28,42-43H,10-15H2,1-7H3/t27-,28-/m0/s1 |
| InChI Key | HEIDAWQUVMFXEL-NSOVKSMOSA-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. |
![2D Structure of (1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4-hydroxy-3-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/669e1dc0-85b3-11ee-8cf6-ab42dd0a0c48.jpg "2D Structure of (1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4-hydroxy-3-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-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 | 99.40% | 96.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 98.86% | 91.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.71% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 97.40% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.88% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.73% | 89.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.28% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.92% | 91.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.59% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.37% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.93% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.70% | 90.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.95% | 88.48% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.76% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.24% | 91.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.08% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.87% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.31% | 95.17% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 85.87% | 95.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.81% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.64% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.05% | 91.49% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.99% | 95.89% |
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 | 163039035 |
| LOTUS | LTS0209895 |
| wikiData | Q105026833 |