2H-1-Benzopyran-7-ol, 2-(1,3-benzodioxol-5-yl)-3,4-dihydro-, (S)-
| Internal ID | 43cbad73-17c8-4b4b-8720-99067c42ed89 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol |
| SMILES (Canonical) | C1CC2=C(C=C(C=C2)O)OC1C3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | C1CC2=C(C=C(C=C2)O)OC1C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C16H14O4/c17-12-4-1-10-2-5-13(20-15(10)8-12)11-3-6-14-16(7-11)19-9-18-14/h1,3-4,6-8,13,17H,2,5,9H2 |
| InChI Key | DGOAORIWKTZFLK-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C16H14O4 |
| Molecular Weight | 270.28 g/mol |
| Exact Mass | 270.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 3.30 |
| 2H-1-Benzopyran-7-ol, 2-(1,3-benzodioxol-5-yl)-3,4-dihydro-, (S)- |
| 2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol |
| 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 | 98.70% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.45% | 97.09% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 92.44% | 88.48% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.95% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.67% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.97% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.95% | 96.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.81% | 82.67% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.06% | 95.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.76% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.12% | 91.49% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.97% | 95.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.77% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.02% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.64% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.89% | 91.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.61% | 92.62% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.35% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.34% | 89.00% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 80.87% | 83.14% |
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.
| Habranthus brachyandrus |
| Iryanthera lancifolia |
| PubChem | 12052874 |
| LOTUS | LTS0171338 |
| wikiData | Q104978937 |