[(2S,3S,4R)-4-hydroxy-2-(2-methoxyphenoxy)-4-[(2-methoxyphenoxy)methyl]oxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | 0749b0f1-6b01-4b2f-aafa-ec88eded12aa |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [(2S,3S,4R)-4-hydroxy-2-(2-methoxyphenoxy)-4-[(2-methoxyphenoxy)methyl]oxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=CC=CC=C1OCC2(COC(C2COC(=O)C=CC3=CC(=C(C=C3)O)OC)OC4=CC=CC=C4OC)O |
| SMILES (Isomeric) | COC1=CC=CC=C1OC[C@]2(CO[C@H]([C@H]2COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)OC4=CC=CC=C4OC)O |
| InChI | InChI=1S/C30H32O10/c1-34-23-8-4-6-10-25(23)38-18-30(33)19-39-29(40-26-11-7-5-9-24(26)35-2)21(30)17-37-28(32)15-13-20-12-14-22(31)27(16-20)36-3/h4-16,21,29,31,33H,17-19H2,1-3H3/b15-13+/t21-,29+,30-/m1/s1 |
| InChI Key | OKBLMLAOZRHIKP-CGZDKOQNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H32O10 |
| Molecular Weight | 552.60 g/mol |
| Exact Mass | 552.19954721 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4R)-4-hydroxy-2-(2-methoxyphenoxy)-4-[(2-methoxyphenoxy)methyl]oxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/7cc24d80-85b5-11ee-8279-9d61e933f9c7.jpg "2D Structure of [(2S,3S,4R)-4-hydroxy-2-(2-methoxyphenoxy)-4-[(2-methoxyphenoxy)methyl]oxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate")
| 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 | 99.76% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.53% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.99% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.66% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.40% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.47% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.56% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.80% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.30% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.69% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.18% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.60% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.35% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 82.86% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.19% | 95.50% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.18% | 89.67% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.13% | 95.83% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.07% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.68% | 97.14% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 80.41% | 94.05% |
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.
| Abies nephrolepis |
| PubChem | 163190397 |
| LOTUS | LTS0220116 |
| wikiData | Q105193448 |