(7R,8S,9R)-9-(3,4-dimethoxyphenyl)-7,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
| Internal ID | 53b429ba-2865-41ca-a336-f7cbacad276b |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | (7R,8S,9R)-9-(3,4-dimethoxyphenyl)-7,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24O4/c1-12-9-14-6-8-17-21(25-11-24-17)20(14)19(13(12)2)15-5-7-16(22-3)18(10-15)23-4/h5-8,10,12-13,19H,9,11H2,1-4H3/t12-,13+,19-/m1/s1 |
| InChI Key | ZJRZMBOBSXVTJW-QHRIQVFBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24O4 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (7R,8S,9R)-9-(3,4-dimethoxyphenyl)-7,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/7r8s9r-9-34-dimethoxyphenyl-78-dimethyl-6789-tetrahydrobenzog13benzodioxole.jpg "2D Structure of (7R,8S,9R)-9-(3,4-dimethoxyphenyl)-7,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.04% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.78% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.64% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.46% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.27% | 91.11% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.98% | 82.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.55% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.43% | 92.94% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.17% | 94.03% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 88.12% | 96.86% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.31% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.11% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.06% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.92% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.86% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.47% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.19% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.05% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.78% | 94.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.24% | 92.38% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.06% | 90.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.05% | 95.78% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.89% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.61% | 99.17% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.44% | 86.00% |
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.
| Otoba novogranatensis |
| PubChem | 162922400 |
| LOTUS | LTS0203604 |
| wikiData | Q105378101 |