(2S)-2-(2-hydroxypropan-2-yl)-5-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
| Internal ID | 9a61b4fa-5250-44de-806d-c50ec60287bf |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens |
| IUPAC Name | (2S)-2-(2-hydroxypropan-2-yl)-5-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one |
| SMILES (Canonical) | CC(C)(C1CC2=CC3=C(C=C2O1)OC(=O)C=C3OC)O |
| SMILES (Isomeric) | CC(C)([C@@H]1CC2=CC3=C(C=C2O1)OC(=O)C=C3OC)O |
| InChI | InChI=1S/C15H16O5/c1-15(2,17)13-5-8-4-9-11(18-3)7-14(16)20-12(9)6-10(8)19-13/h4,6-7,13,17H,5H2,1-3H3/t13-/m0/s1 |
| InChI Key | GYCLVQKAZGBRFC-ZDUSSCGKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O5 |
| Molecular Weight | 276.28 g/mol |
| Exact Mass | 276.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (2S)-2-(2-hydroxypropan-2-yl)-5-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-2-hydroxypropan-2-yl-5-methoxy-23-dihydrofuro32-gchromen-7-one.jpg "2D Structure of (2S)-2-(2-hydroxypropan-2-yl)-5-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-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 | 98.54% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.90% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.87% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.78% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.13% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.57% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.79% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.62% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.48% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.71% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.06% | 93.99% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.92% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.75% | 89.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.46% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.26% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.18% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.01% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.52% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.31% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.97% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.52% | 96.86% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.27% | 95.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.92% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.68% | 97.25% |
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.
| Rhadinothamnus anceps |
| PubChem | 101888438 |
| LOTUS | LTS0076166 |
| wikiData | Q104402246 |