(4S)-4-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
| Internal ID | f316070e-ffbc-4c16-9e91-c00bc39dee2e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | (4S)-4-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one |
| SMILES (Canonical) | CC(CC1=CC(=C(C=C1)OC)OC)C2(C=C(C(=O)C=C2OC)CC=C)OC |
| SMILES (Isomeric) | CC(CC1=CC(=C(C=C1)OC)OC)[C@@]2(C=C(C(=O)C=C2OC)CC=C)OC |
| InChI | InChI=1S/C22H28O5/c1-7-8-17-14-22(27-6,21(26-5)13-18(17)23)15(2)11-16-9-10-19(24-3)20(12-16)25-4/h7,9-10,12-15H,1,8,11H2,2-6H3/t15?,22-/m1/s1 |
| InChI Key | MVOMQPWLJRZYDT-ZZAPORBBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O5 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 3.80 |
| 74048-71-8 |
| 2,5-Cyclohexadien-1-one, 4-[2-(3,4-dimethoxyphenyl)-1-methylethyl]-4,5-dimethoxy-2-(2-propenyl)-, [S-(R*,S*)]-; (4S)-4-[(1R)-2-(3,4-Dimethoxyphenyl)-1-methylethyl]-4,5-dimethoxy-2-(2-propen-1-yl)-2,5-cyclohexadien-1-one |
![2D Structure of (4S)-4-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/4s-4-1-34-dimethoxyphenylpropan-2-yl-45-dimethoxy-2-prop-2-enylcyclohexa-25-dien-1-one.jpg "2D Structure of (4S)-4-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.09% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.01% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.52% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.34% | 85.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.45% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.57% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.37% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.18% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.61% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.32% | 95.50% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 82.58% | 97.88% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.11% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.04% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.59% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.08% | 94.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.06% | 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.
| Piper argyrophyllum |
| Piper schmidtii |
| Piper wightii |
| PubChem | 129316665 |
| LOTUS | LTS0268167 |
| wikiData | Q104402966 |