Urabaine
| Internal ID | a1efdae2-69db-41f6-9db6-c178925e321c |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines > Naphthylquinolines |
| IUPAC Name | 8-(15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene |
| SMILES (Canonical) | COC1=C(C2=C3C(=C1)CCNC3=C(C4=CC=CC=C42)C5=C6C7=C(C8=CC=CC=C85)C(=C(C=C7CCN6)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C2=C3C(=C1)CCNC3=C(C4=CC=CC=C42)C5=C6C7=C(C8=CC=CC=C85)C(=C(C=C7CCN6)OC)OC)OC |
| InChI | InChI=1S/C36H32N2O4/c1-39-25-17-19-13-15-37-33-27(19)31(35(25)41-3)23-11-7-5-9-21(23)29(33)30-22-10-6-8-12-24(22)32-28-20(14-16-38-34(28)30)18-26(40-2)36(32)42-4/h5-12,17-18,37-38H,13-16H2,1-4H3 |
| InChI Key | VAJJHVOLCGLYEI-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C36H32N2O4 |
| Molecular Weight | 556.60 g/mol |
| Exact Mass | 556.23620751 g/mol |
| Topological Polar Surface Area (TPSA) | 61.00 Ų |
| XlogP | 8.50 |
| 108906-93-0 |
| 8-(15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene |
| Urabain |
| DTXSID60148775 |
| 7,7'-Bi-4H-dibenzo(de,g)quinoline, 5,5',6,6'-tetrahydro-1,1',2,2'-tetramethoxy- |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.96% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.82% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.15% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 93.45% | 89.76% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.10% | 92.98% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.85% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.93% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.24% | 94.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.15% | 92.67% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 87.47% | 91.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.36% | 86.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.75% | 96.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.40% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.18% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.78% | 92.62% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 84.55% | 96.47% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.55% | 90.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.07% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.96% | 94.45% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.66% | 94.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.29% | 97.09% |
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.
| Annona squamosa |
| Phoenicanthus obliquus |
| Piptostigma fugax |
| Polyalthia bullata |
| Unonopsis spectabilis |
| PubChem | 184021 |
| NPASS | NPC134319 |
| LOTUS | LTS0204871 |
| wikiData | Q6157287 |