(2R)-4,7-bis[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-2,6,6-trimethylbicyclo[3.2.0]heptan-2-ol
| Internal ID | 1ceccf12-2fe0-46db-a443-657bd1447131 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (2R)-4,7-bis[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-2,6,6-trimethylbicyclo[3.2.0]heptan-2-ol |
| SMILES (Canonical) | CC1(C2C(CC(C2C1C3=C(C=CC(=C3)CCN(C)C)OC)(C)O)C4=C(C=CC(=C4)CCN(C)C)OC)C |
| SMILES (Isomeric) | C[C@]1(CC(C2C1C(C2(C)C)C3=C(C=CC(=C3)CCN(C)C)OC)C4=C(C=CC(=C4)CCN(C)C)OC)O |
| InChI | InChI=1S/C32H48N2O3/c1-31(2)28(24-19-22(15-17-34(6)7)11-13-27(24)37-9)30-29(31)25(20-32(30,3)35)23-18-21(14-16-33(4)5)10-12-26(23)36-8/h10-13,18-19,25,28-30,35H,14-17,20H2,1-9H3/t25?,28?,29?,30?,32-/m1/s1 |
| InChI Key | HWNLAGBDXKGMAH-OGIKBEQGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H48N2O3 |
| Molecular Weight | 508.70 g/mol |
| Exact Mass | 508.36649340 g/mol |
| Topological Polar Surface Area (TPSA) | 45.20 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of (2R)-4,7-bis[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-2,6,6-trimethylbicyclo[3.2.0]heptan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r-47-bis5-2-dimethylaminoethyl-2-methoxyphenyl-266-trimethylbicyclo320heptan-2-ol.jpg "2D Structure of (2R)-4,7-bis[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-2,6,6-trimethylbicyclo[3.2.0]heptan-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.29% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 94.74% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.90% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.52% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.20% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.83% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.20% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.61% | 90.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.01% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.15% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.92% | 97.09% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.81% | 85.49% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.61% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.48% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.17% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.80% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.31% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.96% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.69% | 97.14% |
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.
| Zanthoxylum avicennae |
| PubChem | 5321256 |
| LOTUS | LTS0248065 |
| wikiData | Q105034740 |