(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
| Internal ID | 6d077921-9ea1-46fd-bc3f-5f7480e10224 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | (2S)-2-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C16H12O6/c17-9-4-10(18)16-11(19)6-13(22-15(16)5-9)8-1-2-12-14(3-8)21-7-20-12/h1-5,13,17-18H,6-7H2/t13-/m0/s1 |
| InChI Key | SCYVPEQZLVCGHG-ZDUSSCGKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H12O6 |
| Molecular Weight | 300.26 g/mol |
| Exact Mass | 300.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 2.60 |
| 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 | 98.98% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.56% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.83% | 96.12% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.79% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.57% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.49% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.60% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.36% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.70% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.56% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.12% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.13% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.23% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.17% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.57% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 81.27% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.19% | 92.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.08% | 88.48% |
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.
| Spiraea formosana |
| PubChem | 163189270 |
| LOTUS | LTS0024008 |
| wikiData | Q105250511 |