13-(3,5-Dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaen-13-yl)-15-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
| Internal ID | 1529350c-6c16-442a-a7d8-7183e6222090 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines > Naphthylquinolines |
| IUPAC Name | 13-(3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaen-13-yl)-15-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14(19),15,17-heptaene |
| SMILES (Canonical) | COC1=CC=CC2=C1C(=C3C4=C2C5=C(C=C4CCN3)OCO5)C6=C7C8=C(C9=CC=CC=C96)C1=C(C=C8CCN7)OCO1 |
| SMILES (Isomeric) | COC1=CC=CC2=C1C(=C3C4=C2C5=C(C=C4CCN3)OCO5)C6=C7C8=C(C9=CC=CC=C96)C1=C(C=C8CCN7)OCO1 |
| InChI | InChI=1S/C35H26N2O5/c1-38-22-8-4-7-21-27(22)31(33-26-18(10-12-37-33)14-24-35(30(21)26)42-16-40-24)28-19-5-2-3-6-20(19)29-25-17(9-11-36-32(25)28)13-23-34(29)41-15-39-23/h2-8,13-14,36-37H,9-12,15-16H2,1H3 |
| InChI Key | YYCWQXHRSIIBSO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H26N2O5 |
| Molecular Weight | 554.60 g/mol |
| Exact Mass | 554.18417193 g/mol |
| Topological Polar Surface Area (TPSA) | 70.20 Ų |
| XlogP | 8.20 |
| There are no found synonyms. |
![2D Structure of 13-(3,5-Dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaen-13-yl)-15-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14(19),15,17-heptaene](https://plantaedb.com/storage/docs/compounds/2023/11/36096400-8539-11ee-aaed-634eebfdd711.jpg "2D Structure of 13-(3,5-Dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaen-13-yl)-15-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14(19),15,17-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 | 99.82% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.59% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.88% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.01% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.89% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.54% | 96.77% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 93.26% | 94.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.00% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.36% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.58% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.20% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.06% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.72% | 85.14% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.64% | 80.96% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.65% | 94.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.18% | 96.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 87.11% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.37% | 95.89% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.02% | 82.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.85% | 97.14% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.84% | 96.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.83% | 97.09% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.15% | 96.39% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.61% | 95.50% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.42% | 95.56% |
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.
| Polyalthia debilis |
| PubChem | 10918691 |
| LOTUS | LTS0019951 |
| wikiData | Q105368410 |