[22-Hydroxy-10-(hydroxymethyl)-1,2,6,6,19-pentamethyl-16-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-21-oxahexacyclo[12.11.0.02,11.05,10.015,23.018,23]pentacos-14-en-8-yl] acetate
| Internal ID | 93ef746c-c5a5-4ff2-aa27-900f0abec48c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | [22-hydroxy-10-(hydroxymethyl)-1,2,6,6,19-pentamethyl-16-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-21-oxahexacyclo[12.11.0.02,11.05,10.015,23.018,23]pentacos-14-en-8-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H58O12/c1-18-16-47-33(46)38-12-11-35(5)20(27(38)22(42)13-21(18)38)7-8-26-36(35,6)10-9-25-34(3,4)31(23(48-19(2)41)14-37(25,26)17-40)50-32-30(45)29(44)28(43)24(15-39)49-32/h18,21,23-26,28-33,39-40,43-46H,7-17H2,1-6H3 |
| InChI Key | VQSOJBKVEUZDMN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H58O12 |
| Molecular Weight | 706.90 g/mol |
| Exact Mass | 706.39282728 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [22-Hydroxy-10-(hydroxymethyl)-1,2,6,6,19-pentamethyl-16-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-21-oxahexacyclo[12.11.0.02,11.05,10.015,23.018,23]pentacos-14-en-8-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/5edfa4d0-8573-11ee-afb0-0bec58b1693a.jpg "2D Structure of [22-Hydroxy-10-(hydroxymethyl)-1,2,6,6,19-pentamethyl-16-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-21-oxahexacyclo[12.11.0.02,11.05,10.015,23.018,23]pentacos-14-en-8-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.71% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.95% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.17% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.80% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.89% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.36% | 91.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.17% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.73% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.84% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.71% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.16% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.16% | 85.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.69% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.29% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.03% | 97.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.68% | 96.21% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.04% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.94% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.82% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.50% | 92.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.17% | 89.05% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.16% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.57% | 95.56% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.38% | 95.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.33% | 97.14% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.94% | 82.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.89% | 91.07% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.82% | 95.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73092065 |
| LOTUS | LTS0123389 |
| wikiData | Q104199700 |