5,7-dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]chromen-4-one
| Internal ID | a16d982f-f78a-4684-9aa7-4783c3aacd1d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 5,7-dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]chromen-4-one |
| SMILES (Canonical) | CC(=C)C(CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)O)O |
| SMILES (Isomeric) | CC(=C)[C@@H](CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)O)O |
| InChI | InChI=1S/C25H24O7/c1-12(2)17(26)8-15-19(28)10-21-22(23(15)29)24(30)16(11-31-21)14-7-13-5-6-25(3,4)32-20(13)9-18(14)27/h5-7,9-11,17,26-29H,1,8H2,2-4H3/t17-/m1/s1 |
| InChI Key | TVBQFTZUDRGVLA-QGZVFWFLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O7 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 5,7-dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/6ecc8590-8604-11ee-af47-c72a01e89781.jpg "2D Structure of 5,7-dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-[(2R)-2-hydroxy-3-methylbut-3-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 | 99.56% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.38% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.06% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.06% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.96% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.36% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.91% | 86.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.70% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.00% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.63% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.05% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.03% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.64% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.61% | 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.
| Eriosema kraussianum |
| PubChem | 162994578 |
| LOTUS | LTS0197699 |
| wikiData | Q105265173 |