(1S,14R)-9,20,25-trimethoxy-15,31-dimethyl-23-oxa-15,31-diazaheptacyclo[22.7.1.13,7.18,12.114,18.028,32.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,28(32)-dodecaene-6,21-diol
| Internal ID | ce33b889-ea70-4059-845f-a499dcf1f166 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | (1S,14R)-9,20,25-trimethoxy-15,31-dimethyl-23-oxa-15,31-diazaheptacyclo[22.7.1.13,7.18,12.114,18.028,32.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,28(32)-dodecaene-6,21-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H40N2O6/c1-38-14-12-23-8-11-31(43-4)36-33(23)27(38)18-21-6-9-29(40)25(16-21)26-17-22(7-10-30(26)42-3)19-28-34-24(13-15-39(28)2)20-32(44-5)35(41)37(34)45-36/h6-11,16-17,20,27-28,40-41H,12-15,18-19H2,1-5H3/t27-,28+/m0/s1 |
| InChI Key | IEEFWPXAXKSLGR-WUFINQPMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H40N2O6 |
| Molecular Weight | 608.70 g/mol |
| Exact Mass | 608.28863700 g/mol |
| Topological Polar Surface Area (TPSA) | 83.90 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of (1S,14R)-9,20,25-trimethoxy-15,31-dimethyl-23-oxa-15,31-diazaheptacyclo[22.7.1.13,7.18,12.114,18.028,32.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,28(32)-dodecaene-6,21-diol](https://plantaedb.com/storage/docs/compounds/2023/11/47d8acc0-85ea-11ee-9cef-f92bc4abf2a6.jpg "2D Structure of (1S,14R)-9,20,25-trimethoxy-15,31-dimethyl-23-oxa-15,31-diazaheptacyclo[22.7.1.13,7.18,12.114,18.028,32.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,28(32)-dodecaene-6,21-diol")
| 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 | 99.11% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.70% | 95.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.64% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.59% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.19% | 91.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.15% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.08% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.77% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.22% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.09% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.90% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.76% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.37% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.83% | 86.33% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.87% | 91.79% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.63% | 95.78% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.12% | 91.03% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.65% | 90.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.60% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.46% | 98.75% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.82% | 82.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.70% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.79% | 93.65% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.43% | 95.53% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 81.93% | 96.76% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.79% | 95.12% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 81.71% | 95.70% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.00% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.79% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.57% | 99.15% |
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.
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| There are no matching plants. |
| PubChem | 163104401 |
| LOTUS | LTS0070189 |
| wikiData | Q105111726 |