13-(4-Hydroxyphenyl)-5-(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
| Internal ID | a06b8786-8818-4a6d-8c88-c3e6f439ae5f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 13-(4-hydroxyphenyl)-5-(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H24O12/c31-13-3-1-12(2-4-13)30-29(39)25(23-17(34)7-14(32)8-21(23)41-30)24-22(42-30)10-16(33)15-9-20(37)27(40-28(15)24)11-5-18(35)26(38)19(36)6-11/h1-8,10,20,25,27,29,31-39H,9H2 |
| InChI Key | DWIOQBZYELAYFO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H24O12 |
| Molecular Weight | 576.50 g/mol |
| Exact Mass | 576.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 210.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 13-(4-Hydroxyphenyl)-5-(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/64c6d060-8686-11ee-9fa4-bd249059a1cd.jpg "2D Structure of 13-(4-Hydroxyphenyl)-5-(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol")
| 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 | 99.74% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.09% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.29% | 97.93% |
| CHEMBL236 | P41143 | Delta opioid receptor | 90.15% | 99.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.14% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.78% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.12% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.57% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.13% | 94.62% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.94% | 85.11% |
| CHEMBL3194 | P02766 | Transthyretin | 85.29% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.27% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.83% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.13% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.70% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.46% | 95.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.81% | 90.93% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.80% | 85.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.33% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.20% | 90.00% |
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.
| Geranium niveum |
| PubChem | 85136828 |
| LOTUS | LTS0131242 |
| wikiData | Q104990564 |