[1-[2-[Hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]cyclopropyl]-1-oxopropan-2-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
| Internal ID | c370357b-a57d-4d71-a8d9-d90c0c458b6c |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [1-[2-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]cyclopropyl]-1-oxopropan-2-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC(C(=O)C1CC1C(C2CC=CC(=O)O2)O)OC(=O)C=CC3=CC(=C(C=C3)O)O |
| SMILES (Isomeric) | CC(C(=O)C1CC1C(C2CC=CC(=O)O2)O)OC(=O)C=CC3=CC(=C(C=C3)O)O |
| InChI | InChI=1S/C21H22O8/c1-11(28-19(25)8-6-12-5-7-15(22)16(23)9-12)20(26)13-10-14(13)21(27)17-3-2-4-18(24)29-17/h2,4-9,11,13-14,17,21-23,27H,3,10H2,1H3 |
| InChI Key | PMVFYHVSZOZDAN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O8 |
| Molecular Weight | 402.40 g/mol |
| Exact Mass | 402.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of [1-[2-[Hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]cyclopropyl]-1-oxopropan-2-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/42da94b0-85ee-11ee-a084-0148c7de55fa.jpg "2D Structure of [1-[2-[Hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]cyclopropyl]-1-oxopropan-2-yl] 3-(3,4-dihydroxyphenyl)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 | 99.27% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.42% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.37% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.21% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.51% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.46% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.38% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.85% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 88.43% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.22% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.59% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.58% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.26% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.84% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.66% | 99.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.60% | 92.88% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.08% | 96.12% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 83.54% | 98.57% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.27% | 94.73% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.35% | 83.10% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.28% | 100.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.70% | 80.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.16% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.64% | 91.07% |
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.
| Hyptis brevipes |
| PubChem | 74941383 |
| LOTUS | LTS0081099 |
| wikiData | Q105211767 |