2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(1R)-1-hydroxy-3-methylbut-2-enyl]-8-(3-methylbut-2-enyl)chromen-4-one
| Internal ID | 260bebdf-feef-444c-9d56-f3b5752d746f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | 2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(1R)-1-hydroxy-3-methylbut-2-enyl]-8-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3O)OC)O)C(C=C(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3O)OC)O)[C@@H](C=C(C)C)O)C |
| InChI | InChI=1S/C26H28O8/c1-12(2)6-7-14-16(27)10-20(31)23-24(32)22(19(30)8-13(3)4)26(34-25(14)23)15-9-18(29)21(33-5)11-17(15)28/h6,8-11,19,27-31H,7H2,1-5H3/t19-/m1/s1 |
| InChI Key | KAWAJORUQDJNLV-LJQANCHMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O8 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(1R)-1-hydroxy-3-methylbut-2-enyl]-8-(3-methylbut-2-enyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/ce93f4e0-8628-11ee-a4f8-efd2816a2f86.jpg "2D Structure of 2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(1R)-1-hydroxy-3-methylbut-2-enyl]-8-(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 | 99.38% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.73% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.37% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.86% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.08% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.27% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.66% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.59% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.20% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.18% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.86% | 96.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.13% | 89.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.10% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.02% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 86.95% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.28% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.09% | 90.71% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.00% | 91.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.70% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.30% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.01% | 89.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.49% | 96.09% |
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 elasticus |
| PubChem | 15939769 |
| LOTUS | LTS0094665 |
| wikiData | Q105138004 |