[(2R)-2-hydroxy-2-[(1S)-4-methylcyclohex-3-en-1-yl]propyl] 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 12d28c7c-b120-4f21-a853-a04b7b9015da |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | [(2R)-2-hydroxy-2-[(1S)-4-methylcyclohex-3-en-1-yl]propyl] 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1=CCC(CC1)C(C)(COC(=O)C=CC2=CC=C(C=C2)O)O |
| SMILES (Isomeric) | CC1=CC[C@H](CC1)[C@](C)(COC(=O)C=CC2=CC=C(C=C2)O)O |
| InChI | InChI=1S/C19H24O4/c1-14-3-8-16(9-4-14)19(2,22)13-23-18(21)12-7-15-5-10-17(20)11-6-15/h3,5-7,10-12,16,20,22H,4,8-9,13H2,1-2H3/t16-,19+/m1/s1 |
| InChI Key | OABFXORNKWTJNP-APWZRJJASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O4 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of [(2R)-2-hydroxy-2-[(1S)-4-methylcyclohex-3-en-1-yl]propyl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-hydroxy-2-1s-4-methylcyclohex-3-en-1-ylpropyl-3-4-hydroxyphenylprop-2-enoate.jpg "2D Structure of [(2R)-2-hydroxy-2-[(1S)-4-methylcyclohex-3-en-1-yl]propyl] 3-(4-hydroxyphenyl)prop-2-enoate")
| 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 | 94.55% | 91.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 92.72% | 90.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.65% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.45% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.78% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.64% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.56% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.01% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.69% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.52% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.86% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.48% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.40% | 93.56% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.35% | 97.64% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.31% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.25% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.34% | 91.49% |
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.
| Haplopappus taeda |
| PubChem | 162915160 |
| LOTUS | LTS0081977 |
| wikiData | Q105188571 |