5,7-Dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-hydroxy-3-methylbutyl)chromen-4-one
| Internal ID | af0df9c1-a6c2-4a8a-b0d2-db4db68bfc2d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 5,7-dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-hydroxy-3-methylbutyl)chromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=CC(=C(C=C2O1)O)C3=COC4=C(C3=O)C(=C(C(=C4)O)CCC(C)(C)O)O)C |
| SMILES (Isomeric) | CC1(C=CC2=CC(=C(C=C2O1)O)C3=COC4=C(C3=O)C(=C(C(=C4)O)CCC(C)(C)O)O)C |
| InChI | InChI=1S/C25H26O7/c1-24(2,30)7-6-14-17(26)11-20-21(22(14)28)23(29)16(12-31-20)15-9-13-5-8-25(3,4)32-19(13)10-18(15)27/h5,8-12,26-28,30H,6-7H2,1-4H3 |
| InChI Key | KGYHISLEEHDLNF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H26O7 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
| 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 | 99.50% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.84% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.32% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.62% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.57% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.53% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.38% | 94.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.50% | 97.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.17% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.67% | 96.77% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.14% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.71% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.49% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.98% | 94.45% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.77% | 96.37% |
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 | 5318851 |
| LOTUS | LTS0099737 |
| wikiData | Q105141036 |