[1-[2-[Acetyloxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]cyclopropyl]-1-oxopropan-2-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
| Internal ID | dce6e314-abf8-4273-8b61-d8c8ed698f14 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [1-[2-[acetyloxy-(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)OC(=O)C)OC(=O)C=CC3=CC(=C(C=C3)O)O |
| SMILES (Isomeric) | CC(C(=O)C1CC1C(C2CC=CC(=O)O2)OC(=O)C)OC(=O)C=CC3=CC(=C(C=C3)O)O |
| InChI | InChI=1S/C23H24O9/c1-12(30-21(28)9-7-14-6-8-17(25)18(26)10-14)22(29)15-11-16(15)23(31-13(2)24)19-4-3-5-20(27)32-19/h3,5-10,12,15-16,19,23,25-26H,4,11H2,1-2H3 |
| InChI Key | AYUDDNXPNFAQHF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O9 |
| Molecular Weight | 444.40 g/mol |
| Exact Mass | 444.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [1-[2-[Acetyloxy-(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/2023/11/82a24db0-84e0-11ee-8661-d38b805e9bba.jpg "2D Structure of [1-[2-[Acetyloxy-(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 | 99.42% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.72% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.56% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.58% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.93% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.49% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.97% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.47% | 98.95% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.81% | 83.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.48% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.73% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.68% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.19% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.66% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.52% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.48% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.35% | 91.19% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.05% | 96.12% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.83% | 100.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.67% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.36% | 89.50% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 80.12% | 98.57% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.02% | 100.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.00% | 80.00% |
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.
| Hyptis brevipes |
| PubChem | 74941385 |
| LOTUS | LTS0107611 |
| wikiData | Q104921384 |