(21S)-10,15,26-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),3,7(36),8,10,13(35),14,16,23(34),24,26,29,32-tridecaen-14-ol
| Internal ID | 10036152-0d26-457c-971d-72f3846416f6 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (21S)-10,15,26-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),3,7(36),8,10,13(35),14,16,23(34),24,26,29,32-tridecaen-14-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC)O3)C=C5)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC)O3)C=C5)O)OC |
| InChI | InChI=1S/C36H36N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-22-7-10-29(40-2)31(17-22)43-25-8-5-21(6-9-25)15-27-26-20-30(41-3)32(44-36)18-23(26)11-13-37-27/h5-10,17-20,28,39H,11-16H2,1-4H3/t28-/m0/s1 |
| InChI Key | JFSKADBFGYJFML-NDEPHWFRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H36N2O6 |
| Molecular Weight | 592.70 g/mol |
| Exact Mass | 592.25733687 g/mol |
| Topological Polar Surface Area (TPSA) | 82.00 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (21S)-10,15,26-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),3,7(36),8,10,13(35),14,16,23(34),24,26,29,32-tridecaen-14-ol](https://plantaedb.com/storage/docs/compounds/2023/11/552cfbb0-865f-11ee-b5f9-f9ef31805cea.jpg "2D Structure of (21S)-10,15,26-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),3,7(36),8,10,13(35),14,16,23(34),24,26,29,32-tridecaen-14-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 | 99.67% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.48% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.26% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 93.97% | 95.78% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.73% | 98.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.65% | 91.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.39% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.36% | 95.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.26% | 82.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.28% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.84% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.72% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.46% | 99.17% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 87.56% | 90.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.78% | 93.99% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.59% | 95.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.17% | 93.40% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.02% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.86% | 96.77% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.30% | 97.53% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.70% | 86.33% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.90% | 95.34% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.61% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.52% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.32% | 89.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.25% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.81% | 90.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.80% | 99.18% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.74% | 95.53% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.35% | 97.33% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.83% | 97.47% |
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 cultratum |
| Thalictrum minus |
| PubChem | 101428567 |
| LOTUS | LTS0221118 |
| wikiData | Q105126975 |