(2,4-Dihydroxyphenyl)-[5-[3-(2,4-dihydroxyphenyl)-7,17-dihydroxy-11,21-bis(4-hydroxyphenyl)-10,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-4(9),5,7,14(19),15,17-hexaen-6-yl]-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]oxolan-3-yl]methanone
| Internal ID | d4d76c75-1e6f-4b8e-9a3a-e7a4ad41b771 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | (2,4-dihydroxyphenyl)-[5-[3-(2,4-dihydroxyphenyl)-7,17-dihydroxy-11,21-bis(4-hydroxyphenyl)-10,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-4(9),5,7,14(19),15,17-hexaen-6-yl]-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]oxolan-3-yl]methanone |
| SMILES (Canonical) | C1=CC(=CC=C1CC2C(C(OC2C3=CC4=C(C=C3O)OC5(C(C4C6=C(C=C(C=C6)O)O)C7C(OC8=C(C7O5)C=CC(=C8)O)C9=CC=C(C=C9)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)C(=O)C1=C(C=C(C=C1)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CC2C(C(OC2C3=CC4=C(C=C3O)OC5(C(C4C6=C(C=C(C=C6)O)O)C7C(OC8=C(C7O5)C=CC(=C8)O)C9=CC=C(C=C9)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)C(=O)C1=C(C=C(C=C1)O)O)O |
| InChI | InChI=1S/C60H48O15/c61-33-9-1-29(2-10-33)23-45-52(55(71)41-21-18-38(66)25-47(41)69)56(30-3-11-34(62)12-4-30)73-58(45)43-27-44-50(28-48(43)70)74-60(32-7-15-36(64)16-8-32)54(51(44)40-20-17-37(65)24-46(40)68)53-57(31-5-13-35(63)14-6-31)72-49-26-39(67)19-22-42(49)59(53)75-60/h1-22,24-28,45,51-54,56-59,61-70H,23H2 |
| InChI Key | KWDUYEPXFZPAEU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C60H48O15 |
| Molecular Weight | 1009.00 g/mol |
| Exact Mass | 1008.29932082 g/mol |
| Topological Polar Surface Area (TPSA) | 256.00 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of (2,4-Dihydroxyphenyl)-[5-[3-(2,4-dihydroxyphenyl)-7,17-dihydroxy-11,21-bis(4-hydroxyphenyl)-10,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-4(9),5,7,14(19),15,17-hexaen-6-yl]-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]oxolan-3-yl]methanone](https://plantaedb.com/storage/docs/compounds/2023/11/422d5020-85fb-11ee-b50c-b5ba28b5650d.jpg "2D Structure of (2,4-Dihydroxyphenyl)-[5-[3-(2,4-dihydroxyphenyl)-7,17-dihydroxy-11,21-bis(4-hydroxyphenyl)-10,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-4(9),5,7,14(19),15,17-hexaen-6-yl]-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]oxolan-3-yl]methanone")
| 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 | 98.92% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.75% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.72% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.85% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.05% | 95.93% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 90.98% | 89.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.05% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.86% | 94.45% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 89.76% | 89.44% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 89.20% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.10% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.79% | 94.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.74% | 97.93% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.34% | 95.17% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.23% | 90.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.92% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.90% | 99.35% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.29% | 97.36% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.70% | 93.10% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.92% | 96.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.22% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.95% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.82% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.25% | 99.15% |
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.
| Lophira alata |
| PubChem | 162970838 |
| LOTUS | LTS0121889 |
| wikiData | Q105146878 |