(2E,4Z,6E)-7-[(1R)-2-hydroxy-3-(2,4,5-trihydroxyphenyl)cyclohex-2-en-1-yl]-4-methoxy-6-methylhepta-2,4,6-trienoic acid
| Internal ID | 7023b74d-fa50-4467-bdbf-627f1dca4276 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | (2E,4Z,6E)-7-[(1R)-2-hydroxy-3-(2,4,5-trihydroxyphenyl)cyclohex-2-en-1-yl]-4-methoxy-6-methylhepta-2,4,6-trienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24O7/c1-12(9-14(28-2)6-7-20(25)26)8-13-4-3-5-15(21(13)27)16-10-18(23)19(24)11-17(16)22/h6-11,13,22-24,27H,3-5H2,1-2H3,(H,25,26)/b7-6+,12-8+,14-9-/t13-/m1/s1 |
| InChI Key | WKLFGCOQAHCWHB-XSJBJDJVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24O7 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (2E,4Z,6E)-7-[(1R)-2-hydroxy-3-(2,4,5-trihydroxyphenyl)cyclohex-2-en-1-yl]-4-methoxy-6-methylhepta-2,4,6-trienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/f331c580-853b-11ee-bfb6-8d17bf0f3a66.jpg "2D Structure of (2E,4Z,6E)-7-[(1R)-2-hydroxy-3-(2,4,5-trihydroxyphenyl)cyclohex-2-en-1-yl]-4-methoxy-6-methylhepta-2,4,6-trienoic acid")
| 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 | 99.13% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.09% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.99% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.92% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.84% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.35% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.86% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.80% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.62% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.15% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.95% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.61% | 92.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.71% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.01% | 98.75% |
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.
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| There are no matching plants. |
| PubChem | 102004958 |
| LOTUS | LTS0133098 |
| wikiData | Q105307462 |