1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol
| Internal ID | cd9da4f2-a04d-4fe3-b357-b575a6627320 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol |
| SMILES (Canonical) | COC1=C(C2=C(CC3C4=C2C(=C(C=C4CC(N3)C(C(C5C6C7=C(C8=C5C=CC(=C8O)OC)C(=C(C=C7CCN6)OC)OC)O)O)OC)OC)C=C1)O |
| SMILES (Isomeric) | COC1=C(C2=C(CC3C4=C2C(=C(C=C4CC(N3)C(C(C5C6C7=C(C8=C5C=CC(=C8O)OC)C(=C(C=C7CCN6)OC)OC)O)O)OC)OC)C=C1)O |
| InChI | InChI=1S/C40H44N2O10/c1-47-23-9-7-17-13-21-27-19(16-26(50-4)39(51-5)32(27)29(17)36(23)44)14-22(42-21)35(43)38(46)31-20-8-10-24(48-2)37(45)30(20)33-28-18(11-12-41-34(28)31)15-25(49-3)40(33)52-6/h7-10,15-16,21-22,31,34-35,38,41-46H,11-14H2,1-6H3 |
| InChI Key | DPYAOKNBRFRTLM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H44N2O10 |
| Molecular Weight | 712.80 g/mol |
| Exact Mass | 712.29959560 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/079b0420-883d-11ee-aec1-df2be5073956.jpg "2D Structure of 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-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 |
|---|---|---|---|---|
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 99.09% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.02% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.14% | 96.09% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 96.51% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.32% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.83% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.65% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.94% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.55% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.01% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.17% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.08% | 98.75% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 86.30% | 89.32% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.01% | 94.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.18% | 91.49% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.90% | 91.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.81% | 88.48% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.24% | 95.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.21% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.56% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.44% | 95.56% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.01% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.44% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.76% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.70% | 93.56% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.27% | 93.18% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.26% | 94.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.17% | 95.89% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.36% | 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.
| Aristolochia lagesiana |
| PubChem | 101497866 |
| LOTUS | LTS0112770 |
| wikiData | Q104986787 |