2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine
| Internal ID | bd1a377f-11c0-45cd-b76d-5ef75cee75f9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine |
| SMILES (Canonical) | CC1=CC(C(C(C1)C2=C(C=CC(=C2)CCN(C)C)OC)C(=C)C)C3=C(C=CC(=C3)CCN(C)C)OC |
| SMILES (Isomeric) | CC1=CC(C(C(C1)C2=C(C=CC(=C2)CCN(C)C)OC)C(=C)C)C3=C(C=CC(=C3)CCN(C)C)OC |
| InChI | InChI=1S/C32H46N2O2/c1-22(2)32-28(26-20-24(14-16-33(4)5)10-12-30(26)35-8)18-23(3)19-29(32)27-21-25(15-17-34(6)7)11-13-31(27)36-9/h10-13,18,20-21,28-29,32H,1,14-17,19H2,2-9H3 |
| InChI Key | ZULSSCAFEXMMQF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H46N2O2 |
| Molecular Weight | 490.70 g/mol |
| Exact Mass | 490.35592871 g/mol |
| Topological Polar Surface Area (TPSA) | 24.90 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine](https://plantaedb.com/storage/docs/compounds/2023/11/a0858520-858f-11ee-9adc-bbd89894b617.jpg "2D Structure of 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine")
| 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 | 98.95% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.19% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.20% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.49% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.44% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.79% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.57% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.36% | 94.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.95% | 97.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.61% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.49% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.43% | 98.75% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.23% | 92.68% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.16% | 89.05% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.75% | 93.99% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.73% | 85.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.00% | 90.00% |
| CHEMBL240 | Q12809 | HERG | 81.45% | 89.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.18% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.40% | 92.62% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.37% | 90.24% |
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 | 14680301 |
| LOTUS | LTS0273158 |
| wikiData | Q105383792 |