[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-3-yl] (E)-3-phenylprop-2-enoate
| Internal ID | 6b579d1a-c5cb-4b16-b3fc-a070c834a260 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | [(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-3-yl] (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H24O12/c29-11-19-27(40-20(33)7-6-12-4-2-1-3-5-12)25(36)26(37)28(39-19)21-16(32)10-18-22(24(21)35)23(34)13-8-14(30)15(31)9-17(13)38-18/h1-10,19,25-32,35-37H,11H2/b7-6+/t19-,25-,26-,27-,28+/m1/s1 |
| InChI Key | GGDCQCYWAMAMQR-XUTLVVFTSA-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) | 203.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-3-yl] (E)-3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/62e843f0-855b-11ee-b542-bba53a5fa7c2.jpg "2D Structure of [(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-3-yl] (E)-3-phenylprop-2-enoate")
| 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 | 99.77% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.41% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.04% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.32% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.78% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.10% | 93.99% |
| CHEMBL3194 | P02766 | Transthyretin | 88.97% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.83% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.39% | 96.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 86.94% | 88.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.49% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.86% | 94.62% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.06% | 83.82% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.84% | 92.67% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.42% | 94.23% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.01% | 99.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.85% | 97.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.70% | 95.50% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.23% | 83.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.01% | 80.78% |
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 | 102089663 |
| LOTUS | LTS0124090 |
| wikiData | Q105007963 |