1,3-Benzodioxol-4-ol, 5-[2-(1,3-benzodioxol-5-yl)ethyl]-7-methoxy-
| Internal ID | 686346a7-a98a-40d6-8512-d2f7c11f3d6e |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 5-[2-(1,3-benzodioxol-5-yl)ethyl]-7-methoxy-1,3-benzodioxol-4-ol |
| SMILES (Canonical) | COC1=C2C(=C(C(=C1)CCC3=CC4=C(C=C3)OCO4)O)OCO2 |
| SMILES (Isomeric) | COC1=C2C(=C(C(=C1)CCC3=CC4=C(C=C3)OCO4)O)OCO2 |
| InChI | InChI=1S/C17H16O6/c1-19-14-7-11(15(18)17-16(14)22-9-23-17)4-2-10-3-5-12-13(6-10)21-8-20-12/h3,5-7,18H,2,4,8-9H2,1H3 |
| InChI Key | CDEHNLMKWOFSRR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H16O6 |
| Molecular Weight | 316.30 g/mol |
| Exact Mass | 316.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 3.40 |
| 1,3-Benzodioxol-4-ol, 5-[2-(1,3-benzodioxol-5-yl)ethyl]-7-methoxy- |
| DTXSID00468343 |
![2D Structure of 1,3-Benzodioxol-4-ol, 5-[2-(1,3-benzodioxol-5-yl)ethyl]-7-methoxy-](https://plantaedb.com/storage/docs/compounds/2023/11/13-benzodioxol-4-ol-5-2-13-benzodioxol-5-ylethyl-7-methoxy-.jpg "2D Structure of 1,3-Benzodioxol-4-ol, 5-[2-(1,3-benzodioxol-5-yl)ethyl]-7-methoxy-")
| 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 | 98.36% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.49% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.95% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.22% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.44% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.22% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.75% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.45% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.38% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.36% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.06% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.29% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.07% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.62% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.40% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.21% | 94.73% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.13% | 95.17% |
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.
| Pholidota chinensis |
| PubChem | 11544204 |
| LOTUS | LTS0003784 |
| wikiData | Q82295513 |