(2S)-5,7-dimethoxy-2-methyl-2,3-dihydrochromen-4-one
Internal ID | 15aa9431-d490-418d-9c0a-2c3295e6cb69 |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
IUPAC Name | (2S)-5,7-dimethoxy-2-methyl-2,3-dihydrochromen-4-one |
SMILES (Canonical) | CC1CC(=O)C2=C(O1)C=C(C=C2OC)OC |
SMILES (Isomeric) | C[C@H]1CC(=O)C2=C(O1)C=C(C=C2OC)OC |
InChI | InChI=1S/C12H14O4/c1-7-4-9(13)12-10(15-3)5-8(14-2)6-11(12)16-7/h5-7H,4H2,1-3H3/t7-/m0/s1 |
InChI Key | GWGQJCWWKYBQJW-ZETCQYMHSA-N |
Popularity | 0 references in papers |
Molecular Formula | C12H14O4 |
Molecular Weight | 222.24 g/mol |
Exact Mass | 222.08920892 g/mol |
Topological Polar Surface Area (TPSA) | 44.80 Ų |
XlogP | 1.80 |
There are no found synonyms. |
![2D Structure of (2S)-5,7-dimethoxy-2-methyl-2,3-dihydrochromen-4-one 2D Structure of (2S)-5,7-dimethoxy-2-methyl-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-57-dimethoxy-2-methyl-23-dihydrochromen-4-one.jpg)
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 |
---|---|---|---|---|
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.44% | 94.80% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.68% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.50% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.75% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.78% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.35% | 94.00% |
CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.58% | 96.86% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.92% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.68% | 90.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.71% | 97.14% |
CHEMBL2581 | P07339 | Cathepsin D | 83.60% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.03% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.33% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.10% | 89.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.40% | 92.94% |
CHEMBL2535 | P11166 | Glucose transporter | 80.02% | 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.
Pogostemon stellatus |
PubChem | 163057465 |
LOTUS | LTS0198707 |
wikiData | Q105022343 |