2-[4-methoxy-3-[(1R,5S,6S)-5-[2-methoxy-5-[2-(methylamino)ethyl]phenyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]phenyl]-N-methylethanamine
| Internal ID | 398060a5-cac3-4203-9caa-b0caada19300 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | 2-[4-methoxy-3-[(1R,5S,6S)-5-[2-methoxy-5-[2-(methylamino)ethyl]phenyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]phenyl]-N-methylethanamine |
| SMILES (Canonical) | CC1=CC(C(C(C1)C2=C(C=CC(=C2)CCNC)OC)C(C)C)C3=C(C=CC(=C3)CCNC)OC |
| SMILES (Isomeric) | CC1=C[C@H]([C@H]([C@@H](C1)C2=C(C=CC(=C2)CCNC)OC)C(C)C)C3=C(C=CC(=C3)CCNC)OC |
| InChI | InChI=1S/C30H44N2O2/c1-20(2)30-26(24-18-22(12-14-31-4)8-10-28(24)33-6)16-21(3)17-27(30)25-19-23(13-15-32-5)9-11-29(25)34-7/h8-11,16,18-20,26-27,30-32H,12-15,17H2,1-7H3/t26-,27-,30+/m0/s1 |
| InChI Key | ARKNYYXVUBVCHV-FEVNIDIWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H44N2O2 |
| Molecular Weight | 464.70 g/mol |
| Exact Mass | 464.34027865 g/mol |
| Topological Polar Surface Area (TPSA) | 42.50 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 2-[4-methoxy-3-[(1R,5S,6S)-5-[2-methoxy-5-[2-(methylamino)ethyl]phenyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]phenyl]-N-methylethanamine](https://plantaedb.com/storage/docs/compounds/2023/11/ea11db70-85f6-11ee-9e01-d3c4ebc56aeb.jpg "2D Structure of 2-[4-methoxy-3-[(1R,5S,6S)-5-[2-methoxy-5-[2-(methylamino)ethyl]phenyl]-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]phenyl]-N-methylethanamine")
| 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 | 98.28% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.39% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.90% | 95.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.12% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.62% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.54% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.52% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.67% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.59% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.52% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.66% | 94.45% |
| CHEMBL5406 | Q86X55 | Histone-arginine methyltransferase CARM1 | 85.35% | 94.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.19% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.18% | 96.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 84.98% | 94.45% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 84.90% | 97.23% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.31% | 95.34% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 83.51% | 87.16% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.91% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.29% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.82% | 92.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.85% | 90.20% |
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 spinosum |
| PubChem | 102056160 |
| LOTUS | LTS0140858 |
| wikiData | Q104917399 |