3-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-methoxyethoxy]-3-methoxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | 68aa0227-6bb1-4f81-91b3-2f3c6395aec8 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 3-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-methoxyethoxy]-3-methoxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CCCOC(=O)C=CC2=CC(=C(C=C2)O)OC)OC(C(C3=CC(=C(C=C3)O)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CCCOC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O[C@H]([C@@H](C3=CC(=C(C=C3)O)OC)O)OC |
| InChI | InChI=1S/C30H34O10/c1-35-25-16-20(7-11-22(25)31)9-14-28(33)39-15-5-6-19-8-13-24(27(17-19)37-3)40-30(38-4)29(34)21-10-12-23(32)26(18-21)36-2/h7-14,16-18,29-32,34H,5-6,15H2,1-4H3/b14-9+/t29-,30-/m1/s1 |
| InChI Key | BZZDMMPPOYHSMW-VMHQVLEDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34O10 |
| Molecular Weight | 554.60 g/mol |
| Exact Mass | 554.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 3-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-methoxyethoxy]-3-methoxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/238ade80-8188-11ee-bc04-9168c3d20636.jpg "2D Structure of 3-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-methoxyethoxy]-3-methoxyphenyl]propyl (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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.33% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.32% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.46% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.33% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.11% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.58% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 94.36% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.08% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.11% | 94.45% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 89.41% | 89.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.22% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.80% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.62% | 90.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.69% | 90.24% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.37% | 89.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.33% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.43% | 91.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.30% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.81% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.14% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.72% | 95.89% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.60% | 92.95% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 80.45% | 96.67% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.21% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.16% | 89.50% |
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.
| Hibiscus cannabinus |
| PubChem | 163030774 |
| LOTUS | LTS0266375 |
| wikiData | Q104950773 |