[7-(acetyloxymethyl)-6,7-dihydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate
Internal ID | 927083a4-7b40-4e6d-84ee-d3652ad6b809 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
IUPAC Name | [7-(acetyloxymethyl)-6,7-dihydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate |
SMILES (Canonical) | CCC(C)C(=O)OC1C2C(CC(C2(COC(=O)C)O)O)C(=CO1)COC3C(C(C(C(O3)CO)O)O)O |
SMILES (Isomeric) | CCC(C)C(=O)OC1C2C(CC(C2(COC(=O)C)O)O)C(=CO1)COC3C(C(C(C(O3)CO)O)O)O |
InChI | InChI=1S/C23H36O13/c1-4-10(2)20(30)36-21-16-13(5-15(26)23(16,31)9-34-11(3)25)12(7-32-21)8-33-22-19(29)18(28)17(27)14(6-24)35-22/h7,10,13-19,21-22,24,26-29,31H,4-6,8-9H2,1-3H3 |
InChI Key | AOFNWVLWHMPXFG-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H36O13 |
Molecular Weight | 520.50 g/mol |
Exact Mass | 520.21559120 g/mol |
Topological Polar Surface Area (TPSA) | 202.00 Ų |
XlogP | -2.00 |
There are no found synonyms. |
![2D Structure of [7-(acetyloxymethyl)-6,7-dihydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate 2D Structure of [7-(acetyloxymethyl)-6,7-dihydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/506c50f0-85e6-11ee-9604-7b116a064f5d.jpg)
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 | 99.06% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 96.71% | 98.95% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 96.64% | 95.93% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.09% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.05% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.93% | 91.11% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.83% | 97.21% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.90% | 89.00% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.07% | 82.50% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.26% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.13% | 86.33% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 84.87% | 97.79% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.44% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.02% | 94.45% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.64% | 96.95% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.38% | 96.61% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.26% | 99.17% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.52% | 91.24% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.11% | 85.14% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.97% | 93.56% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.97% | 100.00% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.75% | 92.86% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.28% | 96.00% |
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.
Viburnum ayavacense |
PubChem | 85244815 |
LOTUS | LTS0219222 |
wikiData | Q104915596 |