10-(3,7-Dimethylocta-2,6-dienyl)-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-8-(2,4,5-trihydroxyphenyl)pyrano[3,2-g]chromen-6-one
| Internal ID | 1d1063d2-f3f3-4a6b-80ac-8192d48e2404 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | 10-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-8-(2,4,5-trihydroxyphenyl)pyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C2C(=C(C3=C1OC(=C(C3=O)CC=C(C)C)C4=CC(=C(C=C4O)O)O)O)C=CC(O2)(C)C)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C2C(=C(C3=C1OC(=C(C3=O)CC=C(C)C)C4=CC(=C(C=C4O)O)O)O)C=CC(O2)(C)C)C)C |
| InChI | InChI=1S/C35H40O7/c1-19(2)9-8-10-21(5)12-14-24-33-23(15-16-35(6,7)42-33)31(40)29-30(39)22(13-11-20(3)4)32(41-34(24)29)25-17-27(37)28(38)18-26(25)36/h9,11-12,15-18,36-38,40H,8,10,13-14H2,1-7H3 |
| InChI Key | VNXJJFDQGUBMJQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H40O7 |
| Molecular Weight | 572.70 g/mol |
| Exact Mass | 572.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 9.00 |
| There are no found synonyms. |
![2D Structure of 10-(3,7-Dimethylocta-2,6-dienyl)-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-8-(2,4,5-trihydroxyphenyl)pyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/0df10d40-83c9-11ee-b00d-3f3d0b186b7f.jpg "2D Structure of 10-(3,7-Dimethylocta-2,6-dienyl)-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-8-(2,4,5-trihydroxyphenyl)pyrano[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 | 99.88% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.06% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.16% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.19% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.38% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.59% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 92.52% | 85.30% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.51% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.75% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.20% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.92% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.18% | 90.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.79% | 93.10% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.67% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.72% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.82% | 90.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.78% | 90.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.45% | 94.00% |
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.
| Artocarpus integer |
| PubChem | 85097756 |
| LOTUS | LTS0131228 |
| wikiData | Q105290015 |