(1R,14S)-6,20,21,25-tetramethoxy-15-methyl-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-9-ol
| Internal ID | 9b01abd5-8eda-4a3f-b59e-715db7bd782c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | (1R,14S)-6,20,21,25-tetramethoxy-15-methyl-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-9-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H40N2O6/c1-39-13-11-24-19-34(43-4)36(44-5)37-35(24)29(39)17-22-6-8-30(40)26(14-22)27-15-21(7-9-31(27)41-2)16-28-25-20-33(45-37)32(42-3)18-23(25)10-12-38-28/h6-9,14-15,18-20,28-29,38,40H,10-13,16-17H2,1-5H3/t28-,29+/m1/s1 |
| InChI Key | AKWOOAJQRQRUCU-WDYNHAJCSA-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) | 81.70 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (1R,14S)-6,20,21,25-tetramethoxy-15-methyl-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-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c0fca350-85de-11ee-9c3c-27cc11fb312f.jpg "2D Structure of (1R,14S)-6,20,21,25-tetramethoxy-15-methyl-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-9-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 | 99.43% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 96.27% | 91.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.56% | 95.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.56% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.74% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.53% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.52% | 98.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.27% | 91.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.04% | 91.11% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 90.32% | 97.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.83% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.34% | 95.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.86% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.50% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.08% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.03% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.97% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.43% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.05% | 93.99% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.67% | 80.78% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.32% | 95.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.16% | 97.09% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.96% | 90.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.86% | 89.50% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.67% | 95.12% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.26% | 91.79% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.07% | 82.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.35% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.56% | 86.33% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.48% | 96.76% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.43% | 92.98% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.16% | 96.86% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.10% | 91.49% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.44% | 82.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.75% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.67% | 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.
To see more specific details click the taxa you are interested in.
| Garcinia xanthochymus |
| Guatteria guianensis |
| PubChem | 163060259 |
| LOTUS | LTS0060557 |
| wikiData | Q105113661 |