Glyinflanin B
| Internal ID | 6f5ed970-4858-4227-b0a6-23bd09dea0b1 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retro-dihydrochalcones |
| IUPAC Name | 1-(7-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)propane-1,3-dione |
| SMILES (Canonical) | CC1(C=CC2=CC(=C(C=C2O1)O)C(=O)CC(=O)C3=CC=C(C=C3)O)C |
| SMILES (Isomeric) | CC1(C=CC2=CC(=C(C=C2O1)O)C(=O)CC(=O)C3=CC=C(C=C3)O)C |
| InChI | InChI=1S/C20H18O5/c1-20(2)8-7-13-9-15(18(24)11-19(13)25-20)17(23)10-16(22)12-3-5-14(21)6-4-12/h3-9,11,21,24H,10H2,1-2H3 |
| InChI Key | KXBWVUQZNQMUBZ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H18O5 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.90 |
| 142750-23-0 |
| 1-(7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(4-hydroxy-phenyl)-propane-1,3-dione |
| CHEMBL2437374 |
| DTXSID90162166 |
| LMPK12120387 |
| 1-(7-hydroxy-2,2-dimethyl-chromen-6-yl)-3-(4-hydroxyphenyl)propane-1,3-dione |
| 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 | 95.59% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.34% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.37% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.48% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.73% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.52% | 93.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.80% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.33% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.94% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.49% | 94.73% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 84.13% | 87.67% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.71% | 93.99% |
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.
| Glycyrrhiza glabra |
| Glycyrrhiza inflata |
| PubChem | 480799 |
| LOTUS | LTS0133651 |
| wikiData | Q83030743 |