8-Hydroxy-7-methyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid
| Internal ID | 38754186-5d5d-4016-8211-41f8976e70c6 |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 8-hydroxy-7-methyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid |
| SMILES (Canonical) | CC1=C(C2=CC3=C(C=C2C(=C1C(=O)O)C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O |
| SMILES (Isomeric) | CC1=C(C2=CC3=C(C=C2C(=C1C(=O)O)C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O |
| InChI | InChI=1S/C22H20O8/c1-10-18(22(24)25)19(11-5-16(26-2)21(28-4)17(6-11)27-3)12-7-14-15(30-9-29-14)8-13(12)20(10)23/h5-8,23H,9H2,1-4H3,(H,24,25) |
| InChI Key | QQWABQBBCGORNU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O8 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 8-Hydroxy-7-methyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8-hydroxy-7-methyl-5-345-trimethoxyphenylbenzof13benzodioxole-6-carboxylic-acid.jpg "2D Structure of 8-Hydroxy-7-methyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid")
| 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 | 96.15% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.79% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.16% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.97% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 92.50% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.32% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.75% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.43% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.32% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.32% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.21% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.74% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.25% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.06% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.00% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.11% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.71% | 94.80% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.13% | 85.14% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.54% | 94.42% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.05% | 94.73% |
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.
| Juniperus sabina |
| PubChem | 10431797 |
| LOTUS | LTS0086037 |
| wikiData | Q105226092 |