9,20,21,25-Tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
| Internal ID | 018a6e62-a107-4f84-b745-b92bcf2c5c80 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 9,20,21,25-tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| InChI | InChI=1S/C38H42N2O6/c1-39-13-11-24-19-33(43-4)34-21-26(24)29(39)17-22-7-9-31(41)27(15-22)28-16-23(8-10-32(28)42-3)18-30-36-25(12-14-40(30)2)20-35(44-5)37(45-6)38(36)46-34/h7-10,15-16,19-21,29-30,41H,11-14,17-18H2,1-6H3 |
| InChI Key | HIQZXOFBXJICTD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H42N2O6 |
| Molecular Weight | 622.70 g/mol |
| Exact Mass | 622.30428706 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of 9,20,21,25-Tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/05f964d0-8626-11ee-a301-cf88c6efb708.jpg "2D Structure of 9,20,21,25-Tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-6-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 | 99.39% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.39% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.94% | 91.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.07% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.61% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.60% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.85% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.63% | 89.62% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 90.14% | 97.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.03% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.83% | 98.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.90% | 82.38% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.48% | 95.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.11% | 89.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 87.43% | 95.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.12% | 95.89% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.48% | 80.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.41% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.21% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.53% | 91.03% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.94% | 95.53% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.83% | 96.38% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.72% | 82.67% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.52% | 91.49% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.78% | 96.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.51% | 86.33% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.50% | 90.95% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.17% | 91.79% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.93% | 96.86% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.77% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.70% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.36% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.05% | 92.94% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.51% | 89.50% |
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.
| Pseudoxandra cuspidata |
| PubChem | 3496772 |
| LOTUS | LTS0086193 |
| wikiData | Q105028971 |