7-Hydroxy-6-isobutyryl-5-methoxy-2,2-dimethylbenzopyran
| Internal ID | 90e74bc4-8078-4dbf-84b0-ad0022730562 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)-2-methylpropan-1-one |
| SMILES (Canonical) | CC(C)C(=O)C1=C(C2=C(C=C1O)OC(C=C2)(C)C)OC |
| SMILES (Isomeric) | CC(C)C(=O)C1=C(C2=C(C=C1O)OC(C=C2)(C)C)OC |
| InChI | InChI=1S/C16H20O4/c1-9(2)14(18)13-11(17)8-12-10(15(13)19-5)6-7-16(3,4)20-12/h6-9,17H,1-5H3 |
| InChI Key | JGLBGRDHLZINFL-UHFFFAOYSA-N |
| Popularity | 11 references in papers |
| Molecular Formula | C16H20O4 |
| Molecular Weight | 276.33 g/mol |
| Exact Mass | 276.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.70 |
| CHEMBL4172147 |
| 7-hydroxy-6-isobutyryl-5-methoxy-2,2-dimethylbenzopyran |
| 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 | 99.37% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.90% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.90% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.17% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.02% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.86% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.52% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.26% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.59% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.50% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.46% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.44% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.07% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.98% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.45% | 94.73% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.92% | 85.30% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.28% | 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.
| Hypericum polyanthemum |
| PubChem | 10423575 |
| LOTUS | LTS0199563 |
| wikiData | Q105127495 |