6-[4-(1,3-Benzodioxol-5-yl)-4-hydroxy-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol
| Internal ID | a8560653-fea2-4b81-a98d-94f0bbc3dd59 |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | 6-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol |
| SMILES (Canonical) | CC(CC1=CC2=C(C=C1O)OCO2)C(C)C(C3=CC4=C(C=C3)OCO4)O |
| SMILES (Isomeric) | CC(CC1=CC2=C(C=C1O)OCO2)C(C)C(C3=CC4=C(C=C3)OCO4)O |
| InChI | InChI=1S/C20H22O6/c1-11(5-14-7-18-19(8-15(14)21)26-10-25-18)12(2)20(22)13-3-4-16-17(6-13)24-9-23-16/h3-4,6-8,11-12,20-22H,5,9-10H2,1-2H3 |
| InChI Key | MUMFFBHTQFUOMR-UHFFFAOYSA-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) | 77.40 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 6-[4-(1,3-Benzodioxol-5-yl)-4-hydroxy-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6-4-13-benzodioxol-5-yl-4-hydroxy-23-dimethylbutyl-13-benzodioxol-5-ol.jpg "2D Structure of 6-[4-(1,3-Benzodioxol-5-yl)-4-hydroxy-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol")
| 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 | 97.73% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.88% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.43% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.75% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.08% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.61% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.25% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.02% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.06% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.61% | 99.15% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.72% | 90.24% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.48% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.47% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.14% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.00% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.65% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.30% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.01% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.14% | 96.00% |
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.
| Saururus chinensis |
| PubChem | 74392345 |
| LOTUS | LTS0088184 |
| wikiData | Q105172556 |