Dimethyl 3,4-bis(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)cyclobutane-1,2-dicarboxylate
| Internal ID | b0dcd321-064b-4f8e-a145-2946b5784cd3 |
| Taxonomy | Phenylpropanoids and polyketides > Isocoumarins and derivatives |
| IUPAC Name | dimethyl 3,4-bis(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)cyclobutane-1,2-dicarboxylate |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)C=C(OC2=O)C3C(C(C3C(=O)OC)C(=O)OC)C4=CC5=CC(=CC(=C5C(=O)O4)O)OC)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)C=C(OC2=O)C3C(C(C3C(=O)OC)C(=O)OC)C4=CC5=CC(=CC(=C5C(=O)O4)O)OC)O |
| InChI | InChI=1S/C28H24O12/c1-35-13-5-11-7-17(39-27(33)19(11)15(29)9-13)21-22(24(26(32)38-4)23(21)25(31)37-3)18-8-12-6-14(36-2)10-16(30)20(12)28(34)40-18/h5-10,21-24,29-30H,1-4H3 |
| InChI Key | CVKPNDGDFOIINI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H24O12 |
| Molecular Weight | 552.50 g/mol |
| Exact Mass | 552.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 164.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
| 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 | 98.87% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.07% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.02% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.57% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.99% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.15% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.95% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.15% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.83% | 94.45% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.81% | 94.42% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.56% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.44% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.92% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.81% | 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.
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| There are no matching plants. |
| PubChem | 162815674 |
| LOTUS | LTS0101273 |
| wikiData | Q104166362 |