(8S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,9,9-trimethyl-3-(3-methylbut-2-enyl)-8H-furo[2,3-h]chromen-4-one
| Internal ID | 7d97d776-b018-4cd1-9826-8f808d9bc54c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones |
| IUPAC Name | (8S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,9,9-trimethyl-3-(3-methylbut-2-enyl)-8H-furo[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)CC=C(C)C)C4=C(C=C(C=C4)O)O)O)(C)C |
| SMILES (Isomeric) | C[C@H]1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)CC=C(C)C)C4=C(C=C(C=C4)O)O)O)(C)C |
| InChI | InChI=1S/C25H26O6/c1-12(2)6-8-16-22(29)20-18(28)11-19-21(25(4,5)13(3)30-19)24(20)31-23(16)15-9-7-14(26)10-17(15)27/h6-7,9-11,13,26-28H,8H2,1-5H3/t13-/m0/s1 |
| InChI Key | FJZJTEHPYMIMST-ZDUSSCGKSA-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) | 96.20 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (8S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,9,9-trimethyl-3-(3-methylbut-2-enyl)-8H-furo[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/560e5320-863c-11ee-95dc-6928900e7c87.jpg "2D Structure of (8S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,9,9-trimethyl-3-(3-methylbut-2-enyl)-8H-furo[2,3-h]chromen-4-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 | 99.49% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.76% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.86% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.96% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.95% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.91% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.82% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.06% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.39% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.17% | 100.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.01% | 96.12% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.19% | 94.80% |
| CHEMBL3194 | P02766 | Transthyretin | 85.48% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.60% | 93.10% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.29% | 98.35% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.97% | 99.15% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.88% | 96.95% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.26% | 91.38% |
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.
| Morus nigra |
| PubChem | 162916724 |
| LOTUS | LTS0114368 |
| wikiData | Q104996431 |