5-hydroxy-3-[(1R)-1-hydroxy-3-methylbut-2-enyl]-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
| Internal ID | 813a730e-56b8-457b-8005-12e8625c2f08 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones |
| IUPAC Name | 5-hydroxy-3-[(1R)-1-hydroxy-3-methylbut-2-enyl]-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CC(C1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC=C(C=C4)OC)O)C |
| SMILES (Isomeric) | CC(=C[C@H](C1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC=C(C=C4)OC)O)C |
| InChI | InChI=1S/C26H26O6/c1-14(2)12-18(27)21-23(29)22-19(28)13-20-17(10-11-26(3,4)32-20)25(22)31-24(21)15-6-8-16(30-5)9-7-15/h6-13,18,27-28H,1-5H3/t18-/m1/s1 |
| InChI Key | AEULKVUZCRFRBV-GOSISDBHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26O6 |
| Molecular Weight | 434.50 g/mol |
| Exact Mass | 434.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-3-[(1R)-1-hydroxy-3-methylbut-2-enyl]-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/64a2ae70-8409-11ee-bf5c-79b49cd5f897.jpg "2D Structure of 5-hydroxy-3-[(1R)-1-hydroxy-3-methylbut-2-enyl]-2-(4-methoxyphenyl)-8,8-dimethylpyrano[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 | 99.85% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.67% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.23% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.82% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.14% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.94% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.07% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.81% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.95% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.72% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.50% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.24% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.23% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.46% | 94.73% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.06% | 81.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.88% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.32% | 97.14% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.67% | 87.67% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.43% | 93.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.58% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.56% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.53% | 95.89% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.50% | 95.53% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.23% | 90.71% |
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 altilis |
| PubChem | 162851665 |
| LOTUS | LTS0180135 |
| wikiData | Q104910583 |