14-[16-[3,4-Dihydroxy-5-(hydroxymethyl)-2-methoxycyclohexyl]oxy-22-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxytricosyl]-3-[14-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-20-hydroxyhenicosyl]-9,10,11,20,21,22-hexahydroxy-2,6,13,23,24-pentaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione
| Internal ID | f698bed8-16cb-41ad-8c9b-8aef80a9ea01 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 14-[16-[3,4-dihydroxy-5-(hydroxymethyl)-2-methoxycyclohexyl]oxy-22-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxytricosyl]-3-[14-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-20-hydroxyhenicosyl]-9,10,11,20,21,22-hexahydroxy-2,6,13,23,24-pentaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C85H156O31/c1-53(89)36-28-26-34-41-58(110-85-81(106-5)76(101)70(95)64(51-88)115-85)40-31-23-19-15-12-9-13-17-21-25-33-43-60-48-66(91)107-52-65-71(96)73(98)78(103)83(116-65)111-59(47-56(90)44-45-61-68(93)72(97)77(102)82(112-60)113-61)42-32-24-20-16-11-8-6-7-10-14-18-22-30-38-57(109-62-46-55(49-86)67(92)74(99)79(62)104-3)39-35-27-29-37-54(2)108-84-80(105-4)75(100)69(94)63(50-87)114-84/h53-55,57-65,67-89,92-103H,6-52H2,1-5H3 |
| InChI Key | RPZDCXHCLFUBHQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C85H156O31 |
| Molecular Weight | 1674.10 g/mol |
| Exact Mass | 1673.0630582 g/mol |
| Topological Polar Surface Area (TPSA) | 478.00 Ų |
| XlogP | 9.00 |
| There are no found synonyms. |
![2D Structure of 14-[16-[3,4-Dihydroxy-5-(hydroxymethyl)-2-methoxycyclohexyl]oxy-22-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxytricosyl]-3-[14-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-20-hydroxyhenicosyl]-9,10,11,20,21,22-hexahydroxy-2,6,13,23,24-pentaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e51b0740-8538-11ee-981f-9709e89f435b.jpg "2D Structure of 14-[16-[3,4-Dihydroxy-5-(hydroxymethyl)-2-methoxycyclohexyl]oxy-22-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxytricosyl]-3-[14-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-20-hydroxyhenicosyl]-9,10,11,20,21,22-hexahydroxy-2,6,13,23,24-pentaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione")
| 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 | 99.26% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.02% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.99% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.75% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.72% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.58% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.41% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.23% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.89% | 95.89% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 91.16% | 92.97% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.53% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.25% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.17% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.95% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.23% | 97.79% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.13% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.58% | 95.56% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.10% | 95.83% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.80% | 97.25% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.78% | 94.66% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.23% | 92.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.06% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.35% | 92.94% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.07% | 86.92% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.91% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.76% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.53% | 94.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.48% | 93.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.15% | 89.67% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.62% | 92.88% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.48% | 89.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.06% | 95.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.03% | 98.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.51% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.52% | 94.73% |
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.
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| There are no matching plants. |
| PubChem | 139584991 |
| LOTUS | LTS0073839 |
| wikiData | Q77380119 |