8-methoxy-4-methyl-3-(9H-pyrido[3,4-b]indol-1-yl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
| Internal ID | 49c8a579-4bfa-406a-ad1b-0a7a60619796 |
| Taxonomy | Alkaloids and derivatives > Indolonaphthyridine alkaloids |
| IUPAC Name | 8-methoxy-4-methyl-3-(9H-pyrido[3,4-b]indol-1-yl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one |
| SMILES (Canonical) | CC1=C(C(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4OC)C5=NC=CC6=C5NC7=CC=CC=C67 |
| SMILES (Isomeric) | CC1=C(C(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4OC)C5=NC=CC6=C5NC7=CC=CC=C67 |
| InChI | InChI=1S/C27H18N4O2/c1-14-21(25-24-16(11-12-28-25)15-7-3-5-9-18(15)30-24)27(32)31-19-10-6-4-8-17(19)22-20(33-2)13-29-23(14)26(22)31/h3-13,30H,1-2H3 |
| InChI Key | ADVHJVLJDGXGND-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H18N4O2 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.14297583 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 8-methoxy-4-methyl-3-(9H-pyrido[3,4-b]indol-1-yl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/fddb6e70-8625-11ee-b7ec-49a2f0642a11.jpg "2D Structure of 8-methoxy-4-methyl-3-(9H-pyrido[3,4-b]indol-1-yl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.10% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 98.19% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.75% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.62% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.72% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.42% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.02% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.00% | 96.09% |
| CHEMBL2094121 | P14867 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 94.52% | 95.50% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 93.41% | 96.47% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 92.55% | 97.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.92% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.52% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.96% | 94.75% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 89.31% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.23% | 98.95% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 89.15% | 81.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.11% | 83.82% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 88.61% | 96.67% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.53% | 93.65% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.48% | 96.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.29% | 92.67% |
| CHEMBL240 | Q12809 | HERG | 87.64% | 89.76% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 87.24% | 85.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.34% | 86.33% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.56% | 85.30% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.48% | 96.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.40% | 92.98% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.34% | 97.36% |
| CHEMBL3553 | P29597 | Tyrosine-protein kinase TYK2 | 81.58% | 97.09% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.06% | 96.39% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.93% | 93.31% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 80.63% | 95.48% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 80.41% | 93.24% |
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.
| Picrasma quassioides |
| PubChem | 51040165 |
| LOTUS | LTS0207041 |
| wikiData | Q104909823 |