(4-Acetyloxy-2,5-dihydroxy-6-methyloxan-3-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | 834cc6a7-bd37-49a2-ae6e-ef0f77b59a91 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | (4-acetyloxy-2,5-dihydroxy-6-methyloxan-3-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1C(C(C(C(O1)O)OC(=O)C=CC2=CC(=C(C=C2)O)OC)OC(=O)C)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)O)OC(=O)C=CC2=CC(=C(C=C2)O)OC)OC(=O)C)O |
| InChI | InChI=1S/C18H22O9/c1-9-15(22)16(26-10(2)19)17(18(23)25-9)27-14(21)7-5-11-4-6-12(20)13(8-11)24-3/h4-9,15-18,20,22-23H,1-3H3 |
| InChI Key | NIFRPWXJGCHSOO-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H22O9 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
| 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 | 99.31% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.93% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.78% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.65% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.79% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.60% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.63% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 90.92% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.70% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.64% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.35% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.42% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.28% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.04% | 92.94% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.50% | 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.
| Scrophularia ningpoensis |
| PubChem | 73157793 |
| LOTUS | LTS0081052 |
| wikiData | Q105179792 |