(1S,9S)-6-[[(6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene-3,12-diol
| Internal ID | dbde41d9-586c-409f-a65e-5593a328e2eb |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (1S,9S)-6-[[(6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene-3,12-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C6=C5CC7C8=CC(=C(C=C8CC6N7C)OC)O)O)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C6=C5C[C@H]7C8=CC(=C(C=C8C[C@@H]6N7C)OC)O)O)OC)OC |
| InChI | InChI=1S/C39H42N2O8/c1-40-11-10-20-14-32(47-6)39(36-33(20)25(40)12-19-8-9-28(44-3)38(48-7)34(19)36)49-29-18-31(46-5)37(43)35-23(29)16-24-22-17-27(42)30(45-4)15-21(22)13-26(35)41(24)2/h8-9,14-15,17-18,24-26,42-43H,10-13,16H2,1-7H3/t24-,25-,26-/m0/s1 |
| InChI Key | RJVZKUJHGBUQBK-GSDHBNRESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H42N2O8 |
| Molecular Weight | 666.80 g/mol |
| Exact Mass | 666.29411630 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (1S,9S)-6-[[(6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene-3,12-diol](https://plantaedb.com/storage/docs/compounds/2023/11/591d2a60-8492-11ee-9716-a9a0773cd9e3.jpg "2D Structure of (1S,9S)-6-[[(6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene-3,12-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 | 99.38% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 99.14% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 97.22% | 91.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.81% | 93.99% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.66% | 89.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.01% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.60% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.99% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.32% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.13% | 95.89% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 92.52% | 96.76% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.15% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.52% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.47% | 91.03% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 90.43% | 95.34% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.17% | 88.48% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.04% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.50% | 94.45% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.92% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.72% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.23% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.22% | 99.15% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.80% | 96.86% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 85.64% | 97.31% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.19% | 95.89% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 84.96% | 98.44% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.18% | 90.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.98% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.30% | 92.62% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.62% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.55% | 90.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.45% | 95.78% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.39% | 89.50% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.28% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.58% | 94.00% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 80.21% | 95.70% |
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 | 10580284 |
| LOTUS | LTS0162967 |
| wikiData | Q105237864 |