(4S)-4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
| Internal ID | de4ff7e8-4d7f-408f-bddd-8523184ee3c3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | (4S)-4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one |
| SMILES (Canonical) | CC(CC1=CC(=C(C=C1)O)OC)C2(C=C(C(=O)C=C2OC)CC=C)OC |
| SMILES (Isomeric) | C[C@H](CC1=CC(=C(C=C1)O)OC)[C@@]2(C=C(C(=O)C=C2OC)CC=C)OC |
| InChI | InChI=1S/C21H26O5/c1-6-7-16-13-21(26-5,20(25-4)12-18(16)23)14(2)10-15-8-9-17(22)19(11-15)24-3/h6,8-9,11-14,22H,1,7,10H2,2-5H3/t14-,21-/m1/s1 |
| InChI Key | FVOYNDPUIIJRIA-SPLOXXLWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (4S)-4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/12e5f510-8617-11ee-9350-47224360acad.jpg "2D Structure of (4S)-4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.97% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.95% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.23% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.58% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.82% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.72% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.71% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.31% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.11% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.31% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.04% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.90% | 90.20% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.16% | 90.24% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.83% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.87% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.25% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.41% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.71% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.47% | 90.00% |
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.
| Aniba lancifolia |
| PubChem | 163073352 |
| LOTUS | LTS0088030 |
| wikiData | Q105002654 |