3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
| Internal ID | c04eb0e6-854b-4bc0-80cf-aa4059e8c327 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C(=CO3)C4=CC=C(C=C4)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C(=CO3)C4=CC=C(C=C4)O)C |
| InChI | InChI=1S/C21H18O5/c1-21(2)9-8-14-16(26-21)10-17(24-3)18-19(23)15(11-25-20(14)18)12-4-6-13(22)7-5-12/h4-11,22H,1-3H3 |
| InChI Key | YHHXGURSYSXKNO-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H18O5 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-hydroxyphenyl-5-methoxy-88-dimethylpyrano23-hchromen-4-one.jpg "2D Structure of 3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[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 | 97.93% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.11% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.66% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.94% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.88% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.59% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.31% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.85% | 94.75% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.87% | 95.78% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.66% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.18% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.71% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.32% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.97% | 90.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.61% | 98.35% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.08% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.16% | 98.75% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.02% | 95.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.42% | 95.89% |
| CHEMBL1921 | P47901 | Vasopressin V1b receptor | 80.42% | 92.50% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.29% | 93.31% |
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.
| Allium sativum |
| Lophira lanceolata |
| Lupinus luteus |
| Ochna afzelii |
| PubChem | 10545788 |
| LOTUS | LTS0020251 |
| wikiData | Q105026821 |