5,7-Dihydroxy-3-[4-hydroxy-3-(7-hydroxy-3,7-dimethyloct-2-enyl)phenyl]chromen-4-one
| Internal ID | 9a7c6337-8061-4f8c-ab16-5336f94746bf |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 5,7-dihydroxy-3-[4-hydroxy-3-(7-hydroxy-3,7-dimethyloct-2-enyl)phenyl]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)CCCC(C)(C)O |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)CCCC(C)(C)O |
| InChI | InChI=1S/C25H28O6/c1-15(5-4-10-25(2,3)30)6-7-17-11-16(8-9-20(17)27)19-14-31-22-13-18(26)12-21(28)23(22)24(19)29/h6,8-9,11-14,26-28,30H,4-5,7,10H2,1-3H3 |
| InChI Key | PDLBZGJKGCEGQH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H28O6 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-3-[4-hydroxy-3-(7-hydroxy-3,7-dimethyloct-2-enyl)phenyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-3-4-hydroxy-3-7-hydroxy-37-dimethyloct-2-enylphenylchromen-4-one.jpg "2D Structure of 5,7-Dihydroxy-3-[4-hydroxy-3-(7-hydroxy-3,7-dimethyloct-2-enyl)phenyl]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 | 98.97% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 98.96% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.20% | 89.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 95.19% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.83% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.18% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.39% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.99% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.84% | 99.17% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 88.60% | 80.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.32% | 99.15% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.04% | 97.28% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.97% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 81.26% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.30% | 94.42% |
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.
| Campylotropis hirtella |
| PubChem | 91335711 |
| LOTUS | LTS0253927 |
| wikiData | Q105206580 |