[7-(acetyloxymethyl)-4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxymethyl]-6,7-dihydroxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate
| Internal ID | d3d15e4c-f926-4ad3-8a8d-016c1535afae |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | [7-(acetyloxymethyl)-4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxymethyl]-6,7-dihydroxy-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)OC(=O)C=CC4=CC=C(C=C4)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)OC(=O)C=CC4=CC=C(C=C4)O |
| InChI | InChI=1S/C32H42O15/c1-4-16(2)29(40)47-30-25-21(11-23(36)32(25,41)15-44-17(3)34)19(13-42-30)14-43-31-28(27(39)26(38)22(12-33)45-31)46-24(37)10-7-18-5-8-20(35)9-6-18/h5-10,13,16,21-23,25-28,30-31,33,35-36,38-39,41H,4,11-12,14-15H2,1-3H3 |
| InChI Key | AAPLRLFRMAAIBE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H42O15 |
| Molecular Weight | 666.70 g/mol |
| Exact Mass | 666.25237063 g/mol |
| Topological Polar Surface Area (TPSA) | 228.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of [7-(acetyloxymethyl)-4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxymethyl]-6,7-dihydroxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/b1c57ce0-8631-11ee-a01b-8d5a3a8063eb.jpg "2D Structure of [7-(acetyloxymethyl)-4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxymethyl]-6,7-dihydroxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 98.92% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.72% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.27% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.26% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.53% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.26% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 94.23% | 97.21% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.18% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.88% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.84% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.44% | 96.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.91% | 97.64% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.59% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.55% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.03% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.75% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.03% | 94.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.76% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.47% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.37% | 96.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.19% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.79% | 89.62% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.48% | 97.28% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.73% | 93.56% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.39% | 94.97% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.51% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.26% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.04% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.04% | 95.50% |
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 | 74821701 |
| LOTUS | LTS0141021 |
| wikiData | Q104908275 |