(8S)-8-(3,5-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | 27608da6-d27a-4e91-beab-d31ceb942f68 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (8S)-8-(3,5-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H26O6/c1-14(2)5-4-7-25(3)8-6-18-21(31-25)13-22-23(24(18)29)19(28)12-20(30-22)15-9-16(26)11-17(27)10-15/h5-6,8-11,13,20,26-27,29H,4,7,12H2,1-3H3/t20-,25?/m0/s1 |
| InChI Key | OMWKLHZQLGFNOZ-JINQPTGOSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.30 |
| BDBM50468227 |
![2D Structure of (8S)-8-(3,5-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/41379c80-8557-11ee-b8d4-d16607324678.jpg "2D Structure of (8S)-8-(3,5-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-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 |
|---|---|---|---|---|---|
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase |
350 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.66% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.55% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.75% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.10% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.93% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.70% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.06% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.92% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.09% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.80% | 99.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.61% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.52% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.40% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.25% | 96.38% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.64% | 85.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.35% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.08% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.87% | 96.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.42% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.40% | 99.23% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.40% | 97.93% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.76% | 96.37% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.16% | 94.80% |
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.
| Paulownia tomentosa |
| PubChem | 122178788 |
| LOTUS | LTS0091824 |
| wikiData | Q105194536 |