1-[2-(Hydroxymethyl)-2-methyl-2H-1-benzopyran-6-yl]ethan-1-one
| Internal ID | e2f3265d-fd76-4aad-8907-e3370c3c24ed |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]ethanone |
| SMILES (Canonical) | CC(=O)C1=CC2=C(C=C1)OC(C=C2)(C)CO |
| SMILES (Isomeric) | CC(=O)C1=CC2=C(C=C1)OC(C=C2)(C)CO |
| InChI | InChI=1S/C13H14O3/c1-9(15)10-3-4-12-11(7-10)5-6-13(2,8-14)16-12/h3-7,14H,8H2,1-2H3 |
| InChI Key | RTFMELNIBACUEH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.25 g/mol |
| Exact Mass | 218.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 1.50 |
| DTXSID30551217 |
| 1-[2-(Hydroxymethyl)-2-methyl-2H-1-benzopyran-6-yl]ethan-1-one |
![2D Structure of 1-[2-(Hydroxymethyl)-2-methyl-2H-1-benzopyran-6-yl]ethan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-2-hydroxymethyl-2-methyl-2h-1-benzopyran-6-ylethan-1-one.jpg "2D Structure of 1-[2-(Hydroxymethyl)-2-methyl-2H-1-benzopyran-6-yl]ethan-1-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 | 95.13% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.16% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.28% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.46% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.93% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.93% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.04% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.45% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.05% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.22% | 85.14% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 82.66% | 87.67% |
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.
| Artemisia campestris |
| Conocliniopsis prasiifolia |
| Leucoblepharis subsessilis |
| PubChem | 13851474 |
| LOTUS | LTS0136885 |
| wikiData | Q82430758 |