13-(15,16-Dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene
| Internal ID | 3626129f-0ef4-4e74-80ce-4f3724567578 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines > Naphthylquinolines |
| IUPAC Name | 13-(15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H30N2O4/c1-38-15-13-20-16-25(39-2)35(40-3)32-24-11-7-5-9-22(24)30(34(38)28(20)32)29-21-8-4-6-10-23(21)31-27-19(12-14-37-33(27)29)17-26-36(31)42-18-41-26/h4-11,16-17,37H,12-15,18H2,1-3H3 |
| InChI Key | UZBUIVOSTNCVMA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H30N2O4 |
| Molecular Weight | 554.60 g/mol |
| Exact Mass | 554.22055744 g/mol |
| Topological Polar Surface Area (TPSA) | 52.20 Ų |
| XlogP | 8.50 |
| There are no found synonyms. |
![2D Structure of 13-(15,16-Dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene](https://plantaedb.com/storage/docs/compounds/2023/11/6916a0c0-841e-11ee-87d8-f793db35864a.jpg "2D Structure of 13-(15,16-Dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.92% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.89% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.96% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.38% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.74% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.21% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.88% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.87% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.67% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.42% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.72% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.72% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.56% | 94.45% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 90.71% | 92.98% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.04% | 91.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.49% | 82.67% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 87.16% | 100.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.12% | 96.39% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.85% | 96.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.13% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.63% | 98.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.20% | 98.59% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.15% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.30% | 93.65% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.46% | 90.95% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.37% | 95.12% |
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.
| Piptostigma fugax |
| PubChem | 13992209 |
| LOTUS | LTS0229155 |
| wikiData | Q105282092 |