[8-[3-(3-Formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-6-methyl-4-oxo-2-phenylchromen-7-yl] benzoate
| Internal ID | 6c5cdc8e-46fa-4a15-93d2-376089e55c56 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones |
| IUPAC Name | [8-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-6-methyl-4-oxo-2-phenylchromen-7-yl] benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H28O10/c1-18-29(39)27(31(41)23(17-36)32(18)43-3)24(37)15-14-22-33(45-35(42)21-12-8-5-9-13-21)19(2)30(40)28-25(38)16-26(44-34(22)28)20-10-6-4-7-11-20/h4-13,16-17,39-41H,14-15H2,1-3H3 |
| InChI Key | DJMCTPDECPLANU-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H28O10 |
| Molecular Weight | 608.60 g/mol |
| Exact Mass | 608.16824709 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of [8-[3-(3-Formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-6-methyl-4-oxo-2-phenylchromen-7-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/e821af50-8547-11ee-82e0-e1846179abd7.jpg "2D Structure of [8-[3-(3-Formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-6-methyl-4-oxo-2-phenylchromen-7-yl] benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.43% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.07% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.92% | 86.33% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 95.11% | 98.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.42% | 91.11% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 94.37% | 87.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.06% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.31% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.03% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.53% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.07% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.03% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.96% | 95.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.94% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.73% | 91.71% |
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.
| Desmos chinensis |
| PubChem | 162922496 |
| LOTUS | LTS0125732 |
| wikiData | Q104982414 |