9,20,21,25-Tetramethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
| Internal ID | bc4d61e2-c145-4b08-b45a-a75ccae32d4b |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 9,20,21,25-tetramethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene |
| SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6)OC)OC)OC)OC |
| InChI | InChI=1S/C37H40N2O6/c1-39-15-13-24-19-31(41-3)33-21-27(24)29(39)17-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)40-2)16-28-35-25(12-14-38-28)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,38H,12-17H2,1-5H3 |
| InChI Key | BIQLCSCFEQRHME-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H40N2O6 |
| Molecular Weight | 608.70 g/mol |
| Exact Mass | 608.28863700 g/mol |
| Topological Polar Surface Area (TPSA) | 70.60 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 9,20,21,25-Tetramethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene](https://plantaedb.com/storage/docs/compounds/2023/11/8f7cd780-867c-11ee-abba-35e3278df73c.jpg "2D Structure of 9,20,21,25-Tetramethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene")
| 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 | 99.28% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.00% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.25% | 94.45% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 93.14% | 91.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.77% | 95.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.35% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.46% | 85.14% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.74% | 92.98% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 88.21% | 97.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.07% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.08% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.99% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.89% | 98.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.51% | 82.38% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.83% | 90.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.79% | 91.03% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.66% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.63% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.56% | 95.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.55% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.26% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.95% | 89.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.82% | 96.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.67% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.32% | 100.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.19% | 92.38% |
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.
| Stephania pierrei |
| PubChem | 14488274 |
| LOTUS | LTS0089558 |
| wikiData | Q104936711 |