| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 30 | No |
Popular Name: Daidzin Daidzin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 552-66-9 , [552-66-9]
3-(4-hydroxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
552-66-9; C10216; Daidzein 7-O-glucoside; Daidzin
7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one
Daidzein-7-O-beta-D-glucopyranoside
Daidzin [552-66-9]; (Daidzein-7-O-glucoside, 7-Glucocosyl-4'-hydroxyisoflavone)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.77 | -3.86 | -14.79 | 5 | 9 | 0 | 150 | 416.382 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.848 | Bitter DB |
| M.P. | 230-238 C | Indofine |
| MP | 230-238o C | Indofine |
| ALOGPS_SOLUBILITY | 6.61e-01 g/l | DrugBank-experimental |
| Purity | >99% | Fluorochem |
| mechanism | Antidipsotropic | IBScreen Bioactives |
| biological_use | Cancer preventive and an alcohol dependency treatment | IBScreen Bioactives |
| Patent Database Links | EP0829261; EP1656942; EP1808172; EP1878445; EP1961309; WO2005077929; WO2005077930; WO2007103555 | ChEBI |
| Target | Neutrophil elastase(P08246)&Poly [ADP-ribose] polymerase 1(P09874)&Cytochrome P450 1A1(P04798)&Aryl hydrocarbon receptor(P35869) | Herbal Ingredients Targets |
| Target | Others | Selleck Chemicals |
| UniProt Database Links | PMAT1_ARATH; PMAT2_ARATH; UGAT_BELPE | ChEBI |
| SOLUBILITY | Soluble in DMSO | Indofine |
