(3S)-5,7-dihydroxy-3-(4-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
| Internal ID | 2536fda1-6194-42c4-bfd9-60e44ad94512 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 2-O-methylated isoflavonoids |
| IUPAC Name | (3S)-5,7-dihydroxy-3-(4-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C=CC2=C1OCO2)C3COC4=CC(=CC(=C4C3=O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC2=C1OCO2)[C@H]3COC4=CC(=CC(=C4C3=O)O)O |
| InChI | InChI=1S/C17H14O7/c1-21-16-9(2-3-12-17(16)24-7-23-12)10-6-22-13-5-8(18)4-11(19)14(13)15(10)20/h2-5,10,18-19H,6-7H2,1H3/t10-/m1/s1 |
| InChI Key | PAUFFNPFPHTSSH-SNVBAGLBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O7 |
| Molecular Weight | 330.29 g/mol |
| Exact Mass | 330.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 2.70 |
| 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 | 99.16% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.05% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.27% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.98% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.86% | 96.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.20% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.73% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.35% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.51% | 94.80% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.36% | 82.67% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.59% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.57% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.52% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.13% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.09% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.83% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.51% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.30% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.14% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.06% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.93% | 95.89% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.87% | 100.00% |
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.
| Uraria picta |
| PubChem | 163032934 |
| LOTUS | LTS0194944 |
| wikiData | Q105204801 |