3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
| Internal ID | f2a960ad-5dc5-412d-abcb-61f250956020 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | 3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(C)(C1CC2=C(O1)C=C(C3=C2OC(C(C3=O)O)C4=CC=C(C=C4)O)O)O |
| SMILES (Isomeric) | CC(C)(C1CC2=C(O1)C=C(C3=C2OC(C(C3=O)O)C4=CC=C(C=C4)O)O)O |
| InChI | InChI=1S/C20H20O7/c1-20(2,25)14-7-11-13(26-14)8-12(22)15-16(23)17(24)18(27-19(11)15)9-3-5-10(21)6-4-9/h3-6,8,14,17-18,21-22,24-25H,7H2,1-2H3 |
| InChI Key | LFOTZGWNITYXGY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O7 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/5b87b990-83f4-11ee-9aac-a7e7a492b993.jpg "2D Structure of 3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one")
| 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 | 99.06% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.61% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.61% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.88% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.17% | 85.14% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 92.45% | 90.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.17% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.62% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.17% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.98% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.95% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.92% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.44% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.92% | 100.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.80% | 95.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.29% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.99% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.65% | 98.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.49% | 85.11% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.18% | 97.33% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.71% | 85.00% |
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.
| Phellodendron amurense |
| PubChem | 85375185 |
| LOTUS | LTS0102623 |
| wikiData | Q105151114 |