11-(3-Hydroxyphenyl)-3,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),2,5,7,9(27),13,15,17(26),21,23-decaene-7,15,23-triol
| Internal ID | d0236d81-931f-494e-9ee3-15a817573072 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 11-(3-hydroxyphenyl)-3,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),2,5,7,9(27),13,15,17(26),21,23-decaene-7,15,23-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H28O9/c43-22-8-4-19(5-9-22)40-37-28-13-25(46)16-31-34(28)38(41(49-31)20-6-10-23(44)11-7-20)29-14-26(47)18-33-36(29)39(30-15-27(48)17-32(50-40)35(30)37)42(51-33)21-2-1-3-24(45)12-21/h1-18,38-39,41-48H |
| InChI Key | ARMLOXGBRBHILM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H28O9 |
| Molecular Weight | 676.70 g/mol |
| Exact Mass | 676.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of 11-(3-Hydroxyphenyl)-3,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),2,5,7,9(27),13,15,17(26),21,23-decaene-7,15,23-triol](https://plantaedb.com/storage/docs/compounds/2023/11/904b7230-865c-11ee-8514-5b93fce9de72.jpg "2D Structure of 11-(3-Hydroxyphenyl)-3,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),2,5,7,9(27),13,15,17(26),21,23-decaene-7,15,23-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 98.83% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.06% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.55% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.81% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.67% | 99.15% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.70% | 97.64% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 91.46% | 95.78% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.90% | 99.35% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 88.29% | 92.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.72% | 96.09% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 87.49% | 83.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.06% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.51% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.97% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.79% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.84% | 85.14% |
| CHEMBL3194 | P02766 | Transthyretin | 83.80% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.53% | 94.00% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 82.37% | 96.42% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.31% | 88.48% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.23% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.01% | 100.00% |
| CHEMBL1900 | P15121 | Aldose reductase | 80.90% | 92.38% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.23% | 96.00% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 80.08% | 95.55% |
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.
| Caragana sinica |
| PubChem | 162899999 |
| LOTUS | LTS0101868 |
| wikiData | Q104917424 |