5-[[(3S,4S,7S)-7-(4-hydroxy-3-methoxyphenyl)-1,6-dioxaspiro[2.4]heptan-4-yl]methyl]-2-methoxyphenol
| Internal ID | 72c493bd-8a29-4ac7-9a8e-093619479f56 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 5-[[(3S,4S,7S)-7-(4-hydroxy-3-methoxyphenyl)-1,6-dioxaspiro[2.4]heptan-4-yl]methyl]-2-methoxyphenol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CC2COC(C23CO3)C4=CC(=C(C=C4)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C[C@H]2CO[C@H]([C@@]23CO3)C4=CC(=C(C=C4)O)OC)O |
| InChI | InChI=1S/C20H22O6/c1-23-17-6-3-12(8-16(17)22)7-14-10-25-19(20(14)11-26-20)13-4-5-15(21)18(9-13)24-2/h3-6,8-9,14,19,21-22H,7,10-11H2,1-2H3/t14-,19-,20+/m0/s1 |
| InChI Key | FQYYHXNQKCTGCO-PNHOKKKMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 5-[[(3S,4S,7S)-7-(4-hydroxy-3-methoxyphenyl)-1,6-dioxaspiro[2.4]heptan-4-yl]methyl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/5-3s4s7s-7-4-hydroxy-3-methoxyphenyl-16-dioxaspiro24heptan-4-ylmethyl-2-methoxyphenol.jpg "2D Structure of 5-[[(3S,4S,7S)-7-(4-hydroxy-3-methoxyphenyl)-1,6-dioxaspiro[2.4]heptan-4-yl]methyl]-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 | 99.33% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.26% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.84% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.70% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.69% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.45% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.22% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.83% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.18% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.09% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.63% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.00% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.86% | 90.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.04% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.70% | 95.89% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.60% | 85.49% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.37% | 97.28% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.41% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.37% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.04% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.00% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.91% | 99.15% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.89% | 97.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.41% | 96.95% |
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 foetidum |
| PubChem | 162915783 |
| LOTUS | LTS0076678 |
| wikiData | Q105000013 |