2,5-dihydroxy-7-methoxy-2-propan-2-yl-3H-chromen-4-one
| Internal ID | 9ad453f1-93c3-4de5-9745-5f08e168110c |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 2,5-dihydroxy-7-methoxy-2-propan-2-yl-3H-chromen-4-one |
| SMILES (Canonical) | CC(C)C1(CC(=O)C2=C(C=C(C=C2O1)OC)O)O |
| SMILES (Isomeric) | CC(C)C1(CC(=O)C2=C(C=C(C=C2O1)OC)O)O |
| InChI | InChI=1S/C13H16O5/c1-7(2)13(16)6-10(15)12-9(14)4-8(17-3)5-11(12)18-13/h4-5,7,14,16H,6H2,1-3H3 |
| InChI Key | KVAMXPWXQMSSIQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H16O5 |
| Molecular Weight | 252.26 g/mol |
| Exact Mass | 252.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
| 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 | 99.25% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.40% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.05% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.04% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.30% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.49% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.38% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.11% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.66% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.78% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.52% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.66% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.04% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.86% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.60% | 89.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.17% | 80.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.50% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.95% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.25% | 98.75% |
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.
| Baeckea frutescens |
| PubChem | 102247129 |
| LOTUS | LTS0085706 |
| wikiData | Q105146437 |