Nuevamine
| Internal ID | a1982eb6-4e03-42d2-9157-ea32ebee0ba6 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Pyridoisoindoles |
| IUPAC Name | 4,5-dimethoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),3(8),4,6,13,15(19)-hexaen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H17NO5/c1-22-13-4-3-11-16(18(13)23-2)17-12-8-15-14(24-9-25-15)7-10(12)5-6-20(17)19(11)21/h3-4,7-8,17H,5-6,9H2,1-2H3 |
| InChI Key | FANIZYOYPJRPLY-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C19H17NO5 |
| Molecular Weight | 339.30 g/mol |
| Exact Mass | 339.11067264 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 2.40 |
| 4,5-dimethoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),3(8),4,6,13,15(19)-hexaen-9-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.26% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.04% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.99% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.81% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.57% | 95.56% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 93.16% | 82.67% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 91.56% | 96.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.23% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.95% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.87% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.41% | 89.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 87.39% | 91.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.24% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.06% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.61% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.59% | 92.62% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.23% | 90.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.90% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.93% | 97.14% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.63% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.28% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.16% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.82% | 100.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.13% | 96.76% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.66% | 95.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.64% | 90.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.19% | 94.78% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.59% | 90.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.34% | 95.89% |
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.
| Berberis darwinii |
| PubChem | 11772134 |
| LOTUS | LTS0103660 |
| wikiData | Q104992362 |