Longiberine
| Internal ID | e4a6251e-2140-4219-9212-74de44ebf924 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (1S,14S)-9,20,21,25-tetramethoxy-30-methyl-7,23-dioxa-15,30-diazaoctacyclo[22.6.2.23,6.18,12.111,15.114,18.027,31.022,33]heptatriaconta-3(37),4,6(36),8,10,12(35),18(33),19,21,24,26,31-dodecaen-19-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=C6CN7CCC8=C(C7CC6=C5)C(=C(C(=C8O)OC)OC)O3)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=C6CN7CCC8=C([C@@H]7CC6=C5)C(=C(C(=C8O)OC)OC)O3)OC)OC |
| InChI | InChI=1S/C38H40N2O7/c1-39-12-10-22-16-30(42-2)33-19-27(22)28(39)14-21-6-8-25(9-7-21)46-32-17-23-15-29-34-26(11-13-40(29)20-24(23)18-31(32)43-3)35(41)37(44-4)38(45-5)36(34)47-33/h6-9,16-19,28-29,41H,10-15,20H2,1-5H3/t28-,29-/m0/s1 |
| InChI Key | MWGNKNYAZMCDHD-VMPREFPWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C38H40N2O7 |
| Molecular Weight | 636.70 g/mol |
| Exact Mass | 636.28355162 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 5.90 |
| (1S,14S)-9,20,21,25-tetramethoxy-30-methyl-7,23-dioxa-15,30-diazaoctacyclo[22.6.2.23,6.18,12.111,15.114,18.027,31.022,33]heptatriaconta-3(37),4,6(36),8,10,12(35),18(33),19,21,24,26,31-dodecaen-19-ol |
| 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 | 99.03% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.80% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.42% | 91.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.54% | 93.40% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.12% | 95.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.08% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.80% | 98.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 91.40% | 82.38% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.99% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.98% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.75% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.93% | 91.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.54% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.30% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.21% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.74% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.26% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.78% | 89.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 85.54% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.18% | 98.75% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.39% | 90.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.14% | 99.17% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.67% | 93.65% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.04% | 95.34% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.00% | 100.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.59% | 95.12% |
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.
| Thalictrum longistylum |
| PubChem | 10627853 |
| LOTUS | LTS0101528 |
| wikiData | Q105173568 |