23,24-Bis(3,5-dihydroxyphenyl)-6,8-dihydroxy-4,12,22-tris(4-hydroxyphenyl)heptacyclo[13.10.1.02,13.03,11.05,10.016,21.021,25]hexacosa-2(13),5(10),6,8,19-pentaene-14,18,26-trione
| Internal ID | 37ed749b-b90e-4695-95fe-818418fbeaf5 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 23,24-bis(3,5-dihydroxyphenyl)-6,8-dihydroxy-4,12,22-tris(4-hydroxyphenyl)heptacyclo[13.10.1.02,13.03,11.05,10.016,21.021,25]hexacosa-2(13),5(10),6,8,19-pentaene-14,18,26-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C56H44O12/c57-29-7-1-24(2-8-29)41-45-38(21-37(65)23-40(45)66)46-42(25-3-9-30(58)10-4-25)50-49(48(41)46)51-53-44(28-17-35(63)20-36(64)18-28)43(27-15-33(61)19-34(62)16-27)52(26-5-11-31(59)12-6-26)56(53)14-13-32(60)22-39(56)47(54(50)67)55(51)68/h1-21,23,39,41-44,46-48,51-53,57-59,61-66H,22H2 |
| InChI Key | JQNFXJDPHLTQHS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C56H44O12 |
| Molecular Weight | 908.90 g/mol |
| Exact Mass | 908.28327683 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of 23,24-Bis(3,5-dihydroxyphenyl)-6,8-dihydroxy-4,12,22-tris(4-hydroxyphenyl)heptacyclo[13.10.1.02,13.03,11.05,10.016,21.021,25]hexacosa-2(13),5(10),6,8,19-pentaene-14,18,26-trione](https://plantaedb.com/storage/docs/compounds/2023/11/111fce70-868c-11ee-b565-835eded9758b.jpg "2D Structure of 23,24-Bis(3,5-dihydroxyphenyl)-6,8-dihydroxy-4,12,22-tris(4-hydroxyphenyl)heptacyclo[13.10.1.02,13.03,11.05,10.016,21.021,25]hexacosa-2(13),5(10),6,8,19-pentaene-14,18,26-trione")
| 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 | 98.69% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.03% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.87% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.98% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.29% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.78% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.63% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.91% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.74% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.46% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.43% | 92.94% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.53% | 96.38% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.84% | 85.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.38% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.25% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.91% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.64% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.38% | 99.15% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.10% | 97.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.05% | 96.12% |
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.
| Sophora leachiana |
| PubChem | 162934676 |
| LOTUS | LTS0061766 |
| wikiData | Q105133551 |