(8S)-10-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | 01a4ca86-b85a-40d5-8894-1dc2c6d3adc2 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (8S)-10-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC1(C=CC2=C(C3=C(C(=C2O1)CC4C(O4)(C)C)OC(CC3=O)C5=CC=C(C=C5)O)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(C3=C(C(=C2O1)C[C@H]4C(O4)(C)C)O[C@@H](CC3=O)C5=CC=C(C=C5)O)O)C |
| InChI | InChI=1S/C25H26O6/c1-24(2)10-9-15-21(28)20-17(27)12-18(13-5-7-14(26)8-6-13)29-23(20)16(22(15)31-24)11-19-25(3,4)30-19/h5-10,18-19,26,28H,11-12H2,1-4H3/t18-,19-/m0/s1 |
| InChI Key | FFNJMGHENBNOAP-OALUTQOASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (8S)-10-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/e7d4ea80-85d6-11ee-8d86-79e1cb7e8008.jpg "2D Structure of (8S)-10-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-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 | 98.89% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.01% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.98% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.80% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.65% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.59% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.94% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.75% | 95.56% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 86.60% | 91.23% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.49% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.90% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.94% | 94.73% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.89% | 80.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.63% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.15% | 90.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.00% | 97.28% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.54% | 90.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.03% | 94.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.03% | 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.
| Derris reticulata |
| PubChem | 162933197 |
| LOTUS | LTS0084406 |
| wikiData | Q104994585 |