(14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-15-oxido-7,23-dioxa-30-aza-15-azoniaheptacyclo[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 | 20b28941-5cf6-4203-a63d-41b4ba9304c2 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-15-oxido-7,23-dioxa-30-aza-15-azoniaheptacyclo[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=C7CC[N+]6(C)[O-])OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CC[N+]6(C)[O-])OC)OC)OC)OC |
| InChI | InChI=1S/C38H42N2O7/c1-39-15-13-25-20-32(43-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)46-33-19-24(9-12-31(33)42-3)18-30-36-26(14-16-40(30,2)41)21-35(44-5)37(45-6)38(36)47-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29?,30-,40?/m0/s1 |
| InChI Key | OPXQVWKPFYXUQZ-JIFZTULISA-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) | 76.70 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of (14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-15-oxido-7,23-dioxa-30-aza-15-azoniaheptacyclo[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/2023/07/98be3d90-251f-11ee-90a9-b94531b6cb5b.jpg "2D Structure of (14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-15-oxido-7,23-dioxa-30-aza-15-azoniaheptacyclo[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 | 99.50% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.20% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.09% | 93.40% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.54% | 91.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.26% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.60% | 95.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.48% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.53% | 94.45% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 89.44% | 97.31% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 88.50% | 96.76% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.04% | 92.98% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.98% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.95% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.83% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.60% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.15% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.69% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.60% | 100.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.59% | 92.38% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.95% | 82.38% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.64% | 95.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.37% | 89.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.59% | 95.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.39% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.17% | 99.17% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.88% | 96.86% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.36% | 91.03% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.69% | 89.50% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 81.52% | 96.69% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.76% | 90.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.56% | 82.67% |
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 tetrandra |
| Zingiber officinale |
| PubChem | 5317331 |
| NPASS | NPC134487 |
| LOTUS | LTS0119525 |
| wikiData | Q105196631 |