2-[(8-Ethoxy-15-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl)oxy]oxane-3,4,5-triol
| Internal ID | 25e1ac63-0ef6-43f6-a3b4-370390bed5bb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2-[(8-ethoxy-15-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl)oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H54O8/c1-7-38-23-12-17(2)24-20(40-23)14-31(6)21-13-18(34)27-29(3,4)22(41-28-26(37)25(36)19(35)15-39-28)8-9-33(27)16-32(21,33)11-10-30(24,31)5/h17-28,34-37H,7-16H2,1-6H3 |
| InChI Key | ALNVNVITMZYFHZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H54O8 |
| Molecular Weight | 578.80 g/mol |
| Exact Mass | 578.38186868 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 2-[(8-Ethoxy-15-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl)oxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/65328500-86c5-11ee-ba46-1d0286ecd8e8.jpg "2D Structure of 2-[(8-Ethoxy-15-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl)oxy]oxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.05% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.85% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.53% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.36% | 97.09% |
| CHEMBL204 | P00734 | Thrombin | 95.07% | 96.01% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.57% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.19% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.10% | 82.69% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.03% | 95.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.10% | 96.61% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.72% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.96% | 100.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 86.35% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 86.24% | 95.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.63% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.40% | 89.34% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.92% | 82.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.63% | 92.62% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.27% | 92.86% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.23% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.21% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.98% | 94.45% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.73% | 98.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.72% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.57% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.56% | 97.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.41% | 90.24% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.10% | 89.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.80% | 89.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.63% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.51% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.31% | 85.14% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 80.13% | 93.85% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73802957 |
| LOTUS | LTS0092160 |
| wikiData | Q104914246 |