[6,7-dihydroxy-4-(hydroxymethyl)-7-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylpentanoate
| Internal ID | 9975dbbb-d699-41b6-9e53-b2c2fe453ee8 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | [6,7-dihydroxy-4-(hydroxymethyl)-7-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylpentanoate |
| SMILES (Canonical) | CCC(C)CC(=O)OC1C2C(CC(C2(COC(=O)C=CC3=CC=C(C=C3)O)O)O)C(=CO1)CO |
| SMILES (Isomeric) | CCC(C)CC(=O)OC1C2C(CC(C2(COC(=O)C=CC3=CC=C(C=C3)O)O)O)C(=CO1)CO |
| InChI | InChI=1S/C25H32O9/c1-3-15(2)10-22(30)34-24-23-19(17(12-26)13-32-24)11-20(28)25(23,31)14-33-21(29)9-6-16-4-7-18(27)8-5-16/h4-9,13,15,19-20,23-24,26-28,31H,3,10-12,14H2,1-2H3 |
| InChI Key | RYYMDCNLERUECM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O9 |
| Molecular Weight | 476.50 g/mol |
| Exact Mass | 476.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of [6,7-dihydroxy-4-(hydroxymethyl)-7-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylpentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/532308e0-85a8-11ee-bd93-1d6e2f3b1bdd.jpg "2D Structure of [6,7-dihydroxy-4-(hydroxymethyl)-7-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylpentanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.87% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.51% | 96.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 96.24% | 97.64% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.04% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.72% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.76% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.58% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.15% | 89.62% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.71% | 98.35% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.55% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.04% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.15% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.10% | 97.21% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.59% | 97.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.56% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.39% | 94.45% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 85.46% | 94.97% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.33% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.21% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.93% | 93.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.38% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.21% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.94% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.16% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.04% | 96.95% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.61% | 89.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.53% | 91.19% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.30% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.20% | 86.92% |
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 luzonicum |
| PubChem | 72803387 |
| LOTUS | LTS0060173 |
| wikiData | Q105248226 |