[4-[8-[(2R,3S)-7-benzoyloxy-5-hydroxy-4-oxo-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-3-yl]-5-hydroxy-4-oxo-7-phenylmethoxychromen-2-yl]-2-hydroxyphenyl] benzoate
| Internal ID | a111c40d-d524-4023-8fcb-8d2c6d014cd6 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | [4-[8-[(2R,3S)-7-benzoyloxy-5-hydroxy-4-oxo-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-3-yl]-5-hydroxy-4-oxo-7-phenylmethoxychromen-2-yl]-2-hydroxyphenyl] benzoate |
| SMILES (Canonical) | C1=CC=C(C=C1)COC2=CC=C(C=C2)C3C(C(=O)C4=C(C=C(C=C4O3)OC(=O)C5=CC=CC=C5)O)C6=C(C=C(C7=C6OC(=CC7=O)C8=CC(=C(C=C8)OC(=O)C9=CC=CC=C9)O)O)OCC1=CC=CC=C1 |
| SMILES (Isomeric) | C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@H]3[C@@H](C(=O)C4=C(C=C(C=C4O3)OC(=O)C5=CC=CC=C5)O)C6=C(C=C(C7=C6OC(=CC7=O)C8=CC(=C(C=C8)OC(=O)C9=CC=CC=C9)O)O)OCC1=CC=CC=C1 |
| InChI | InChI=1S/C58H40O13/c59-42-27-39(23-26-46(42)71-58(65)38-19-11-4-12-20-38)47-30-44(61)50-45(62)31-48(67-33-35-15-7-2-8-16-35)52(56(50)69-47)53-54(63)51-43(60)28-41(68-57(64)37-17-9-3-10-18-37)29-49(51)70-55(53)36-21-24-40(25-22-36)66-32-34-13-5-1-6-14-34/h1-31,53,55,59-60,62H,32-33H2/t53-,55+/m1/s1 |
| InChI Key | BLTQSYGOBBMMHU-QRUQTOPESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C58H40O13 |
| Molecular Weight | 944.90 g/mol |
| Exact Mass | 944.24689133 g/mol |
| Topological Polar Surface Area (TPSA) | 184.00 Ų |
| XlogP | 11.60 |
| There are no found synonyms. |
![2D Structure of [4-[8-[(2R,3S)-7-benzoyloxy-5-hydroxy-4-oxo-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-3-yl]-5-hydroxy-4-oxo-7-phenylmethoxychromen-2-yl]-2-hydroxyphenyl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/ad397c90-85b2-11ee-a792-2b470be00740.jpg "2D Structure of [4-[8-[(2R,3S)-7-benzoyloxy-5-hydroxy-4-oxo-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-3-yl]-5-hydroxy-4-oxo-7-phenylmethoxychromen-2-yl]-2-hydroxyphenyl] 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.85% | 99.17% |
| CHEMBL240 | Q12809 | HERG | 98.74% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.31% | 94.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 96.80% | 92.67% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 96.10% | 97.53% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.32% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.10% | 99.15% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.17% | 91.11% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 93.68% | 85.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.64% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.45% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.41% | 91.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 93.23% | 95.78% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.70% | 95.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.81% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.44% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.72% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.50% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.86% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 87.75% | 90.71% |
| CHEMBL3891 | P07384 | Calpain 1 | 84.19% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.49% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.11% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.00% | 94.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.99% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.30% | 95.89% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.23% | 83.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.07% | 96.95% |
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.
| Garcinia gardneriana |
| PubChem | 162900947 |
| LOTUS | LTS0160107 |
| wikiData | Q104938156 |