(1R,5R,6R,7S,13S,21R)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,13-bis(4-hydroxyphenyl)-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 | 116cbd64-070b-430a-98da-95930fa8360b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | (1R,5R,6R,7S,13S,21R)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,13-bis(4-hydroxyphenyl)-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/C45H36O16/c46-20-6-1-17(2-7-20)41-39(56)37(34-28(53)15-25(50)23-14-30(55)40(58-42(23)34)18-3-10-24(49)26(51)11-18)35-29(54)16-32-36(43(35)59-41)38-33-27(52)12-22(48)13-31(33)60-45(61-32,44(38)57)19-4-8-21(47)9-5-19/h1-13,15-16,30,37-41,44,46-57H,14H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1 |
| InChI Key | OMEURAAAPZIMOL-LQNPQWRQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C45H36O16 |
| Molecular Weight | 832.80 g/mol |
| Exact Mass | 832.20033506 g/mol |
| Topological Polar Surface Area (TPSA) | 280.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (1R,5R,6R,7S,13S,21R)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,13-bis(4-hydroxyphenyl)-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/2023/11/01844630-85ad-11ee-9b26-35c72b924a20.jpg "2D Structure of (1R,5R,6R,7S,13S,21R)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,13-bis(4-hydroxyphenyl)-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% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.95% | 99.35% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.94% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.58% | 83.82% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.28% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.98% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.55% | 97.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.11% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.09% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.47% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.04% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.52% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.80% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.51% | 90.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.16% | 90.93% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.54% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.26% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.18% | 85.11% |
| CHEMBL3194 | P02766 | Transthyretin | 80.69% | 90.71% |
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.
| Dicranopteris pedata |
| PubChem | 14586198 |
| LOTUS | LTS0213217 |
| wikiData | Q105194305 |