(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-2-hydroxy-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
| Internal ID | ef97a043-53b2-4cdd-9b4b-0ff11d6696bb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-2-hydroxy-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C58H94O26/c1-24-34(64)39(69)42(72)48(77-24)82-44-37(67)27(19-60)79-51(46(44)84-47-41(71)35(65)25(62)20-74-47)80-28-21-75-50(45(38(28)68)83-49-43(73)40(70)36(66)26(18-59)78-49)81-33-10-11-54(5)29(52(33,2)3)8-12-55(6)30(54)9-13-58-31-16-53(4,22-61)14-15-57(31,23-76-58)32(63)17-56(55,58)7/h22,24-51,59-60,62-73H,8-21,23H2,1-7H3/t24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39+,40-,41+,42+,43+,44-,45+,46+,47-,48-,49-,50-,51-,53-,54-,55+,56-,57+,58-/m0/s1 |
| InChI Key | GKUDQPRHGFTRHK-LYKFGKFTSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C58H94O26 |
| Molecular Weight | 1207.30 g/mol |
| Exact Mass | 1206.60333310 g/mol |
| Topological Polar Surface Area (TPSA) | 402.00 Ų |
| XlogP | -2.20 |
| There are no found synonyms. |
![2D Structure of (1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-2-hydroxy-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/56d0e6f0-853b-11ee-b857-83e63d9ab982.jpg "2D Structure of (1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-2-hydroxy-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde")
| 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 | 95.29% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.17% | 96.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 94.42% | 91.24% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.87% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.91% | 98.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.26% | 97.36% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.51% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.10% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.88% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.81% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.09% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.65% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.26% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.80% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.52% | 96.21% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.51% | 92.98% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.96% | 96.77% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 82.26% | 97.34% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.20% | 94.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.10% | 91.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.96% | 92.88% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.92% | 92.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.82% | 96.61% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.82% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.79% | 94.45% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.04% | 95.36% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.78% | 98.99% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.27% | 82.38% |
| CHEMBL3589 | P55263 | Adenosine kinase | 80.17% | 98.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.01% | 86.33% |
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.
| Ardisia gigantifolia |
| PubChem | 25147100 |
| LOTUS | LTS0098147 |
| wikiData | Q105010308 |