(2,4-Dihydroxyphenyl)-[5-(2,4-dihydroxyphenyl)-4-[hydroxy-(4-hydroxyphenyl)methyl]-2-(4-hydroxyphenyl)oxolan-3-yl]methanone
| Internal ID | a40b2b47-cd1e-4a5e-b536-55c5f0b49e3a |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans |
| IUPAC Name | (2,4-dihydroxyphenyl)-[5-(2,4-dihydroxyphenyl)-4-[hydroxy-(4-hydroxyphenyl)methyl]-2-(4-hydroxyphenyl)oxolan-3-yl]methanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H26O9/c31-17-5-1-15(2-6-17)27(37)25-26(28(38)21-11-9-19(33)13-23(21)35)29(16-3-7-18(32)8-4-16)39-30(25)22-12-10-20(34)14-24(22)36/h1-14,25-27,29-37H |
| InChI Key | UIUVVNKNNOSOSE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O9 |
| Molecular Weight | 530.50 g/mol |
| Exact Mass | 530.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (2,4-Dihydroxyphenyl)-[5-(2,4-dihydroxyphenyl)-4-[hydroxy-(4-hydroxyphenyl)methyl]-2-(4-hydroxyphenyl)oxolan-3-yl]methanone](https://plantaedb.com/storage/docs/compounds/2023/11/7cacb9f0-83bc-11ee-b813-97bc00058f5e.jpg "2D Structure of (2,4-Dihydroxyphenyl)-[5-(2,4-dihydroxyphenyl)-4-[hydroxy-(4-hydroxyphenyl)methyl]-2-(4-hydroxyphenyl)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 | 98.41% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.19% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.67% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.57% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.44% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.70% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.86% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.11% | 89.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.22% | 97.36% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.08% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.27% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.01% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.75% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.60% | 97.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.28% | 85.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.50% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.35% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 80.09% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.08% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.06% | 91.19% |
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.
| Campylospermum flavum |
| PubChem | 75287600 |
| LOTUS | LTS0085411 |
| wikiData | Q105273613 |