(2,4-Dihydroxyphenyl)-[5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]oxolan-3-yl]methanone
Internal ID | 83b6a41d-9c57-4c0f-93ba-a29cd9355709 |
Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans |
IUPAC Name | (2,4-dihydroxyphenyl)-[5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]oxolan-3-yl]methanone |
SMILES (Canonical) | C1=CC(=CC=C1CC2C(C(OC2C3=C(C=C(C=C3)O)O)C4=CC=C(C=C4)O)C(=O)C5=C(C=C(C=C5)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1CC2C(C(OC2C3=C(C=C(C=C3)O)O)C4=CC=C(C=C4)O)C(=O)C5=C(C=C(C=C5)O)O)O |
InChI | InChI=1S/C30H26O8/c31-18-5-1-16(2-6-18)13-24-27(28(37)22-11-9-20(33)14-25(22)35)29(17-3-7-19(32)8-4-17)38-30(24)23-12-10-21(34)15-26(23)36/h1-12,14-15,24,27,29-36H,13H2 |
InChI Key | UBNIDXNUPVZXPL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H26O8 |
Molecular Weight | 514.50 g/mol |
Exact Mass | 514.16276778 g/mol |
Topological Polar Surface Area (TPSA) | 148.00 Ų |
XlogP | 4.90 |
There are no found synonyms. |
![2D Structure of (2,4-Dihydroxyphenyl)-[5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]oxolan-3-yl]methanone 2D Structure of (2,4-Dihydroxyphenyl)-[5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]oxolan-3-yl]methanone](https://plantaedb.com/storage/docs/compounds/2023/11/5c9c9150-8565-11ee-89d2-6974ad8c57d9.jpg)
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 97.61% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.84% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.89% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.20% | 94.73% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 89.90% | 95.93% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.86% | 95.89% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.48% | 96.95% |
CHEMBL2535 | P11166 | Glucose transporter | 87.19% | 98.75% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.04% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.68% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.58% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.83% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.42% | 95.56% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.12% | 85.00% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.64% | 97.36% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.87% | 86.33% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.44% | 93.10% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.44% | 95.50% |
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.
Hypericum ascyron |
Hypericum beanii |
Lophira alata |
PubChem | 14162794 |
LOTUS | LTS0162862 |
wikiData | Q27106906 |