Unonopsine
| Internal ID | 739c6be5-5b1f-4bba-bc26-4249d99d33d0 |
| 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)-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) | C1CNC2=C(C3=CC=CC=C3C4=C2C1=CC5=C4OCO5)C6=C7C8=C(C9=CC=CC=C96)C1=C(C=C8CCN7)OCO1 |
| SMILES (Isomeric) | C1CNC2=C(C3=CC=CC=C3C4=C2C1=CC5=C4OCO5)C6=C7C8=C(C9=CC=CC=C96)C1=C(C=C8CCN7)OCO1 |
| InChI | InChI=1S/C34H24N2O4/c1-3-7-21-19(5-1)27(31-25-17(9-11-35-31)13-23-33(29(21)25)39-15-37-23)28-20-6-2-4-8-22(20)30-26-18(10-12-36-32(26)28)14-24-34(30)40-16-38-24/h1-8,13-14,35-36H,9-12,15-16H2 |
| InChI Key | RCWGMLIRZPOOHR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H24N2O4 |
| Molecular Weight | 524.60 g/mol |
| Exact Mass | 524.17360725 g/mol |
| Topological Polar Surface Area (TPSA) | 61.00 Ų |
| XlogP | 8.20 |
| 112523-82-7 |
| DTXSID80150097 |
| 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 | 99.65% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.52% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.15% | 93.99% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.19% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.64% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.95% | 89.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 91.24% | 80.96% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.01% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.88% | 92.62% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.03% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.86% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.38% | 95.56% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 82.73% | 81.14% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.66% | 82.67% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.16% | 80.71% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.12% | 96.67% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.15% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.01% | 94.73% |
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.
| Isolona congolana |
| Polyalthia debilis |
| Unonopsis guatterioides |
| Unonopsis spectabilis |
| PubChem | 183531 |
| LOTUS | LTS0131085 |
| wikiData | Q83016041 |