4-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-2-enyl]-2-methoxyphenol
| Internal ID | 33fa6409-452f-4cbe-b117-0a194897a0d5 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols |
| IUPAC Name | 4-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-2-enyl]-2-methoxyphenol |
| SMILES (Canonical) | CC1(OCC(O1)C(C=CC2=CC=C(C=C2)O)C3=CC(=C(C=C3)O)OC)C |
| SMILES (Isomeric) | CC1(OC[C@@H](O1)[C@@H](C=CC2=CC=C(C=C2)O)C3=CC(=C(C=C3)O)OC)C |
| InChI | InChI=1S/C21H24O5/c1-21(2)25-13-20(26-21)17(10-6-14-4-8-16(22)9-5-14)15-7-11-18(23)19(12-15)24-3/h4-12,17,20,22-23H,13H2,1-3H3/t17-,20+/m0/s1 |
| InChI Key | UFTSEQNPKRKIAA-FXAWDEMLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 4-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-2-enyl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-1s-1-4s-22-dimethyl-13-dioxolan-4-yl-3-4-hydroxyphenylprop-2-enyl-2-methoxyphenol.jpg "2D Structure of 4-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-2-enyl]-2-methoxyphenol")
| 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 | 99.77% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.09% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.56% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 94.00% | 98.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.91% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.55% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.09% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.59% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.32% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.75% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 88.62% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.58% | 93.10% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.23% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.16% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.48% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.59% | 99.15% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.42% | 97.14% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.41% | 89.67% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.78% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.64% | 90.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.63% | 89.44% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.15% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.00% | 98.75% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.73% | 92.68% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.62% | 93.99% |
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.
| Metasequoia glyptostroboides |
| PubChem | 132586940 |
| LOTUS | LTS0147237 |
| wikiData | Q105272103 |