methyl (1S,5R)-1,5-dihydroxy-5-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-2-methoxy-4-oxocyclopent-2-ene-1-carboxylate
| Internal ID | b3dcfd4e-0487-44c5-b284-6be53bf96c68 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones > 3-methoxychromones |
| IUPAC Name | methyl (1S,5R)-1,5-dihydroxy-5-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-2-methoxy-4-oxocyclopent-2-ene-1-carboxylate |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3(C(=O)C=C(C3(C(=O)OC)O)OC)O)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)[C@]3(C(=O)C=C([C@@]3(C(=O)OC)O)OC)O)O |
| InChI | InChI=1S/C19H18O11/c1-26-8-5-9(20)13-10(6-8)30-16(15(28-3)14(13)22)18(24)11(21)7-12(27-2)19(18,25)17(23)29-4/h5-7,20,24-25H,1-4H3/t18-,19-/m0/s1 |
| InChI Key | RCCLIZJHDSIUNZ-OALUTQOASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O11 |
| Molecular Weight | 422.30 g/mol |
| Exact Mass | 422.08491139 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 0.50 |
| 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 | 99.36% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.43% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.04% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.01% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.81% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.95% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.23% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.20% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.77% | 91.19% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.24% | 94.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.93% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.73% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.37% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.23% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.19% | 99.17% |
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.
| Chrysosplenium grayanum |
| PubChem | 10002322 |
| LOTUS | LTS0105268 |
| wikiData | Q105233519 |