8,17,18,30-Tetramethoxy-24-methyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.13,7.127,31.09,13.016,21.020,25.014,39]nonatriaconta-1(35),3,5,7(39),8,13,16(21),17,19,27(38),28,30,33,36-tetradecaene
| Internal ID | e85b5e9d-fd0b-4e9f-9792-26af3a97d068 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 8,17,18,30-tetramethoxy-24-methyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.13,7.127,31.09,13.016,21.020,25.014,39]nonatriaconta-1(35),3,5,7(39),8,13,16(21),17,19,27(38),28,30,33,36-tetradecaene |
| SMILES (Canonical) | CN1CCC2=C3C(=C(C=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NC=CC7=C6C(=C8C(=C7OC)OCO8)O3)C=C5)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C3C(=C(C=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NC=CC7=C6C(=C8C(=C7OC)OCO8)O3)C=C5)OC)OC |
| InChI | InChI=1S/C38H36N2O8/c1-40-15-13-24-26-19-31(42-3)35(44-5)34(24)48-36-32-25(33(43-4)37-38(36)46-20-45-37)12-14-39-27(32)16-21-6-9-23(10-7-21)47-30-18-22(17-28(26)40)8-11-29(30)41-2/h6-12,14,18-19,28H,13,15-17,20H2,1-5H3 |
| InChI Key | OSOKLEWJPLGVBW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H36N2O8 |
| Molecular Weight | 648.70 g/mol |
| Exact Mass | 648.24716611 g/mol |
| Topological Polar Surface Area (TPSA) | 90.00 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of 8,17,18,30-Tetramethoxy-24-methyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.13,7.127,31.09,13.016,21.020,25.014,39]nonatriaconta-1(35),3,5,7(39),8,13,16(21),17,19,27(38),28,30,33,36-tetradecaene](https://plantaedb.com/storage/docs/compounds/2023/11/22d50fe0-8700-11ee-8497-cd7ef4b0475d.jpg "2D Structure of 8,17,18,30-Tetramethoxy-24-methyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.13,7.127,31.09,13.016,21.020,25.014,39]nonatriaconta-1(35),3,5,7(39),8,13,16(21),17,19,27(38),28,30,33,36-tetradecaene")
| 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 | 99.27% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.75% | 85.14% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 98.68% | 95.12% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 96.91% | 92.98% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.46% | 98.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.70% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.62% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.26% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.48% | 93.99% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 92.47% | 82.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.98% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.87% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 91.33% | 95.78% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 91.04% | 82.38% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.67% | 89.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.18% | 91.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 88.83% | 90.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.84% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.80% | 95.56% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 87.35% | 97.31% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.07% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.88% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.77% | 94.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.58% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.55% | 98.95% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.25% | 94.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.13% | 90.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.42% | 96.39% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.95% | 93.40% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 82.91% | 98.33% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.61% | 92.38% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 81.24% | 96.69% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.29% | 91.43% |
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 foetidum |
| PubChem | 5321918 |
| LOTUS | LTS0056816 |
| wikiData | Q105199143 |