Lauberine
| Internal ID | d72c4d10-07c1-45e4-bb70-8f6a9b2dd750 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (12S,25R)-5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaen-4-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC |
| InChI | InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)34-20-27(24)29(38)17-23-8-11-31(41-3)33(18-23)44-25-9-6-22(7-10-25)16-30-28-21-35(43-5)36(40)37(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3/t29-,30+/m1/s1 |
| InChI Key | CASHVZNATRNXDE-IHLOFXLRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H40N2O6 |
| Molecular Weight | 608.70 g/mol |
| Exact Mass | 608.28863700 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 6.30 |
| 19879-48-2 |
| DTXSID401346596 |
| AKOS030489299 |
| 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 | 99.46% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.54% | 91.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.08% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.97% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.73% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.01% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.77% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.87% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.61% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.60% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.38% | 95.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.08% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.46% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.26% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.21% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.25% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.21% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.06% | 90.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.00% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.53% | 90.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.40% | 95.78% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.29% | 90.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.50% | 82.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.87% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.86% | 92.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.82% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.44% | 91.03% |
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 laurina |
| PubChem | 16395648 |
| LOTUS | LTS0059570 |
| wikiData | Q104951860 |