4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
| Internal ID | faa8fef2-385a-4b6b-a2ab-c367ce106758 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3OC)C4CCCC5=C6C(=C7C=CC(=CC7=N6)OC)C(=CN45)OC |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3OC)C4CCCC5=C6C(=C7C=CC(=CC7=N6)OC)C(=CN45)OC |
| InChI | InChI=1S/C30H28N4O4/c1-35-16-9-11-19-20(12-16)32-28-22-6-5-7-23(34(22)15-25(38-4)27(19)28)29-30-26(24(37-3)14-31-29)18-10-8-17(36-2)13-21(18)33-30/h8-15,23,33H,5-7H2,1-4H3 |
| InChI Key | ZLXVSSDCCKVREE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28N4O4 |
| Molecular Weight | 508.60 g/mol |
| Exact Mass | 508.21105539 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine](https://plantaedb.com/storage/docs/compounds/2023/11/9429fdb0-8507-11ee-89b5-b9c5f1320467.jpg "2D Structure of 4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine")
| 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 |
|---|---|---|---|---|
| CHEMBL5747 | Q92793 | CREB-binding protein | 99.00% | 95.12% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.48% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.47% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.94% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.48% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.48% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.27% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.93% | 91.11% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 93.18% | 97.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.65% | 97.09% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 92.61% | 95.92% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 92.42% | 97.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.01% | 95.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 91.96% | 95.56% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 91.31% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.26% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.99% | 99.17% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 89.97% | 97.53% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.95% | 91.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.87% | 95.89% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 89.82% | 89.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.19% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.04% | 98.75% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 88.68% | 95.69% |
| CHEMBL2000 | P03952 | Plasma kallikrein | 87.98% | 93.92% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 87.95% | 85.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.28% | 92.62% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 87.05% | 92.38% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 86.78% | 89.32% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.14% | 94.45% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 85.62% | 92.98% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.53% | 97.36% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.99% | 93.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.69% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.55% | 99.23% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.97% | 95.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.32% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.30% | 89.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.90% | 88.48% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.68% | 99.18% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.68% | 91.81% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.06% | 96.00% |
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.
| Carphochaete pringlei |
| Hymenopappus newberryi |
| Perriera madagascariensis |
| Stevia eupatoria |
| PubChem | 10577578 |
| LOTUS | LTS0160624 |
| wikiData | Q105131220 |