5-(6,7-Dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzodioxole
| Internal ID | 7614bbfe-5001-4643-82b0-63354e63135a |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 5-(6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzodioxole |
| SMILES (Canonical) | CC1CC2=CC(=C(C=C2C(C1C)C3=CC4=C(C=C3)OCO4)OC)OC |
| SMILES (Isomeric) | CC1CC2=CC(=C(C=C2C(C1C)C3=CC4=C(C=C3)OCO4)OC)OC |
| InChI | InChI=1S/C21H24O4/c1-12-7-15-9-18(22-3)19(23-4)10-16(15)21(13(12)2)14-5-6-17-20(8-14)25-11-24-17/h5-6,8-10,12-13,21H,7,11H2,1-4H3 |
| InChI Key | UIXVBRXEFVSERL-UHFFFAOYSA-N |
| Popularity | 0 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. |
| 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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.69% | 94.80% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.10% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.76% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.61% | 96.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 91.89% | 82.67% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 91.86% | 96.86% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.96% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.28% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.50% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.45% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.50% | 92.94% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.89% | 88.48% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.87% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.84% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.50% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.19% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.43% | 95.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.37% | 98.75% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.04% | 94.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.47% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.55% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.31% | 89.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.31% | 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 |
| Virola elongata |
| PubChem | 12311143 |
| LOTUS | LTS0185673 |
| wikiData | Q105273703 |