5-(3,4-Dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15,17,19-heptaen-7-one
| Internal ID | d8753b64-d1c2-40e7-b021-855c19509e05 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 5-(3,4-dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15,17,19-heptaen-7-one |
| SMILES (Canonical) | C1=CC(=CC=C1C23C(C(C4=C(C=C(C=C4O2)O)O)C5=C(O3)C=C(C6=C5OC(=C(C6=O)O)C7=CC(=C(C=C7)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C23C(C(C4=C(C=C(C=C4O2)O)O)C5=C(O3)C=C(C6=C5OC(=C(C6=O)O)C7=CC(=C(C=C7)O)O)O)O)O |
| InChI | InChI=1S/C30H20O12/c31-13-4-2-12(3-5-13)30-29(39)24(21-17(35)8-14(32)9-19(21)41-30)23-20(42-30)10-18(36)22-25(37)26(38)27(40-28(22)23)11-1-6-15(33)16(34)7-11/h1-10,24,29,31-36,38-39H |
| InChI Key | UELHEBWHINVMHQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H20O12 |
| Molecular Weight | 572.50 g/mol |
| Exact Mass | 572.09547607 g/mol |
| Topological Polar Surface Area (TPSA) | 207.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 5-(3,4-Dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15,17,19-heptaen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/30f33c60-8617-11ee-bd8a-8fff7c8aafb2.jpg "2D Structure of 5-(3,4-Dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15,17,19-heptaen-7-one")
| 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 | 99.72% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.86% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.10% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.05% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.44% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 90.45% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.60% | 99.23% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.07% | 85.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.04% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.33% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.22% | 92.94% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.80% | 93.04% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.19% | 95.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.99% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.87% | 95.56% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.18% | 96.00% |
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.
| Prunus prostrata |
| PubChem | 162896156 |
| LOTUS | LTS0213193 |
| wikiData | Q105270982 |