(-)-Nortenuipine
| Internal ID | a5ade07d-0abd-4024-8689-03ad2681a3e8 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 23,28-dimethoxy-18,33-dimethyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.23,6.18,15.117,21.09,13.030,34.025,36]nonatriaconta-3(39),4,6(38),8(37),9(13),14,21,23,25(36),27,29,34-dodecaen-24-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=CC(=CC6=C5OCO6)CC7C8=C(O3)C(=C(C=C8CCN7C)OC)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=CC(=CC6=C5OCO6)CC7C8=C(O3)C(=C(C=C8CCN7C)OC)O)OC |
| InChI | InChI=1S/C37H38N2O7/c1-38-11-9-23-17-29(41-3)30-19-26(23)27(38)13-21-5-7-25(8-6-21)45-33-16-22(15-32-36(33)44-20-43-32)14-28-34-24(10-12-39(28)2)18-31(42-4)35(40)37(34)46-30/h5-8,15-19,27-28,40H,9-14,20H2,1-4H3 |
| InChI Key | MQYITJVXEOIJRY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H38N2O7 |
| Molecular Weight | 622.70 g/mol |
| Exact Mass | 622.26790156 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 5.90 |
| NSC140921 |
| NORTENUIPINE,(L) |
| NSC-140921 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.51% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.26% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.03% | 91.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.38% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.35% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.24% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.67% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.62% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.56% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.14% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.91% | 93.40% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.25% | 95.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.28% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.78% | 89.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.55% | 82.38% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.57% | 82.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.83% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.63% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.13% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.57% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.61% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.20% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.94% | 98.75% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.86% | 90.95% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.35% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.11% | 91.03% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.04% | 96.86% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.88% | 95.34% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 80.32% | 99.09% |
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.
| Daphnandra dielsii |
| Daphnandra johnsonii |
| PubChem | 284740 |
| LOTUS | LTS0203513 |
| wikiData | Q104395773 |