4,15,16,21-Tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.13,7.19,13.119,23.017,35.027,34]hexatriaconta-1(31),3,5,7(36),13(35),14,16,19,21,23(34),29,32-dodecaen-14-ol
| Internal ID | 48b3c300-5203-4b84-b72f-c00158411038 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 4,15,16,21-tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.13,7.19,13.119,23.017,35.027,34]hexatriaconta-1(31),3,5,7(36),13(35),14,16,19,21,23(34),29,32-dodecaen-14-ol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7OC3=CC(=C2)OC)OC)OC)O)OC |
| SMILES (Isomeric) | CN1CCC2=C3C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7OC3=CC(=C2)OC)OC)OC)O)OC |
| InChI | InChI=1S/C38H42N2O7/c1-39-15-13-24-20-26(42-3)21-32-33(24)28(39)17-22-7-10-25(11-8-22)46-31-19-23(9-12-30(31)43-4)18-29-34-27(14-16-40(29)2)35(41)37(44-5)38(45-6)36(34)47-32/h7-12,19-21,28-29,41H,13-18H2,1-6H3 |
| InChI Key | OEVSFNPOCWGVIK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H42N2O7 |
| Molecular Weight | 638.70 g/mol |
| Exact Mass | 638.29920168 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 4,15,16,21-Tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.13,7.19,13.119,23.017,35.027,34]hexatriaconta-1(31),3,5,7(36),13(35),14,16,19,21,23(34),29,32-dodecaen-14-ol](https://plantaedb.com/storage/docs/compounds/2023/11/f3e4c270-87b6-11ee-b464-69a67395c22d.jpg "2D Structure of 4,15,16,21-Tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.13,7.19,13.119,23.017,35.027,34]hexatriaconta-1(31),3,5,7(36),13(35),14,16,19,21,23(34),29,32-dodecaen-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 | 98.94% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 96.37% | 91.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.29% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.98% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.20% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.13% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.12% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.53% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.39% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.54% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.10% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.88% | 86.33% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 87.65% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.48% | 89.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.43% | 91.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.06% | 98.75% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.37% | 95.12% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.00% | 82.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.91% | 95.89% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.84% | 90.95% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.73% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.41% | 99.18% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.76% | 95.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.96% | 94.45% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.73% | 92.38% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.63% | 95.53% |
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 fendleri |
| PubChem | 162909658 |
| LOTUS | LTS0148709 |
| wikiData | Q105190599 |