2-(2,4-dihydroxy-6-methoxyphenyl)-5-hydroxy-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)chromen-4-one
| Internal ID | 3a6c535d-5ac0-44a5-b8fc-d01eb1d804b8 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones |
| IUPAC Name | 2-(2,4-dihydroxy-6-methoxyphenyl)-5-hydroxy-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(C)C=CC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=C(C=C(C=C3OC)O)O)CC=C(C)C)OC |
| SMILES (Isomeric) | CC(C)/C=C/C1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=C(C=C(C=C3OC)O)O)CC=C(C)C)OC |
| InChI | InChI=1S/C27H30O7/c1-14(2)7-9-17-20(32-5)13-22-24(25(17)30)26(31)18(10-8-15(3)4)27(34-22)23-19(29)11-16(28)12-21(23)33-6/h7-9,11-14,28-30H,10H2,1-6H3/b9-7+ |
| InChI Key | OFXLPCKWDJVFEG-VQHVLOKHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O7 |
| Molecular Weight | 466.50 g/mol |
| Exact Mass | 466.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 2-(2,4-dihydroxy-6-methoxyphenyl)-5-hydroxy-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3af51ed0-8506-11ee-a1ba-575a8ec0dc4d.jpg "2D Structure of 2-(2,4-dihydroxy-6-methoxyphenyl)-5-hydroxy-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)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 | 99.39% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.52% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.15% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.55% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.84% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.64% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.60% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.59% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.77% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.67% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 89.16% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.77% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.69% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.63% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.24% | 99.15% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.09% | 83.10% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 83.95% | 98.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.69% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.83% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.79% | 93.99% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.59% | 89.50% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.42% | 95.64% |
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 heterophyllus |
| PubChem | 24850607 |
| LOTUS | LTS0183487 |
| wikiData | Q105191451 |