5-hydroxy-2,2-dimethyl-10-[2-[(2S)-oxiran-2-yl]propan-2-yl]pyrano[3,2-g]chromen-8-one
| Internal ID | 6f3ffba1-b520-4c3b-acfd-2e55ffff6207 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Linear pyranocoumarins |
| IUPAC Name | 5-hydroxy-2,2-dimethyl-10-[2-[(2S)-oxiran-2-yl]propan-2-yl]pyrano[3,2-g]chromen-8-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C4CO4)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)[C@H]4CO4)C |
| InChI | InChI=1S/C19H20O5/c1-18(2)8-7-11-15(21)10-5-6-13(20)23-16(10)14(17(11)24-18)19(3,4)12-9-22-12/h5-8,12,21H,9H2,1-4H3/t12-/m1/s1 |
| InChI Key | BEHXVAOQVLHEPS-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O5 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 68.30 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-2,2-dimethyl-10-[2-[(2S)-oxiran-2-yl]propan-2-yl]pyrano[3,2-g]chromen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-22-dimethyl-10-2-2s-oxiran-2-ylpropan-2-ylpyrano32-gchromen-8-one.jpg "2D Structure of 5-hydroxy-2,2-dimethyl-10-[2-[(2S)-oxiran-2-yl]propan-2-yl]pyrano[3,2-g]chromen-8-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 | 98.99% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.50% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.86% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.76% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.17% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.53% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.72% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.59% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.70% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.57% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.55% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.07% | 96.77% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.94% | 90.93% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.63% | 95.71% |
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.
| Citrus medica |
| PubChem | 162846631 |
| LOTUS | LTS0185600 |
| wikiData | Q104932951 |