Pinastric acid
| Internal ID | 23f1b39c-46f8-4b8d-90cb-61434c3ca503 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | methyl (2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetate |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=C(C(=C(C3=CC=CC=C3)C(=O)OC)OC2=O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=C(/C(=C(/C3=CC=CC=C3)\C(=O)OC)/OC2=O)O |
| InChI | InChI=1S/C20H16O6/c1-24-14-10-8-13(9-11-14)15-17(21)18(26-20(15)23)16(19(22)25-2)12-6-4-3-5-7-12/h3-11,21H,1-2H3/b18-16+ |
| InChI Key | KXQKSBAGVQMQSN-FBMGVBCBSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C20H16O6 |
| Molecular Weight | 352.30 g/mol |
| Exact Mass | 352.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 3.00 |
| 481-64-1 |
| 4'-Methoxyvulpinic acid |
| CHEMBL1277790 |
| KXQKSBAGVQMQSN-FBMGVBCBSA-N |
| DTXSID401317208 |
| Methyl (2E)-(3-hydroxy-4-(4-methoxyphenyl)-5-oxo-2(5H)-furanylidene)(phenyl)ethanoate # |
| .delta.(sup 2(5H),.alpha.)-Furanacetic acid, 3-hydroxy-4-(p-methoxyphenyl)-5-oxo-.alpha.-phenyl-, methyl ester |
| .delta.2(5H),.alpha.-Furanacetic acid, 3-hydroxy-4-(p-methoxyphenyl)-5-oxo-.alpha.-phenyl-, methyl ester |
| Benzeneacetic acid, .alpha.-[3-hydroxy-4-(4-methoxyphenyl)-5-oxo-2(5H)-furanylidene]-, methyl ester |
| Benzeneacetic acid, .alpha.-[3-hydroxy-4-(4-methoxyphenyl)-5-oxo-2(5H)-furanylidene]-, methyl ester, (E)- |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.20% | 90.17% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 96.04% | 87.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.89% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.83% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.22% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.08% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.98% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.13% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.16% | 98.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.01% | 81.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.89% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.73% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.62% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.66% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.30% | 94.00% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 81.21% | 89.23% |
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.
| There are no matching plants. |
| PubChem | 54679633 |
| LOTUS | LTS0046266 |
| wikiData | Q77369726 |