Daidzein
precursor
Showing entry for Daidzein
Identification
- PhytoHub ID
- PHUB000222
- Name
- Daidzein
- Systematic Name
- Not Available
- Synonyms
- 7,4'-Dihydroxyisoflavone
- Daidzeol
- CAS Number
- Not Available
- Average Mass
- 254.241
- Monoisotopic Mass
- 254.057908802
- Chemical Formula
- C15H10O4
- IUPAC Name
- 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
- InChI Key
- ZQSIJRDFPHDXIC-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
- SMILES
OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 8.49e-02 g/l
- LogS (ALOGPS)
- -3.48
- LogP (ALOGPS)
- 3.30
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 66.76
- Refractivity
- 69.70200000000001
- Polarizability
- 25.746505585407
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.336102454110623
- pKa (strongest acidic)
- 6.476840159725478
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 28197
- PubChem
- 5281708
- Chemistry Dashboard
- DTXSID9022310
- KNApSAcK
- C00009380
- MetaboLights
- MTBLC28197
- Phenol-Explorer
- 394
- FooDB (Compounds)
- FDB002608
- Exposome Explorer
- 4
- PeakForestCompound
- 000195
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Isoflavones
Taxonomy as Metabolite
- Metabolite Family
- (Poly)phenol metabolites
- Metabolite Class
- Flavonoid metabolites
- Metabolite Sub-class
- Isoflavones (parent, host and microbial metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
Daidzin | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
6''-O-Malonyldaidzin | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
Puerarin | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
Daidzein | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Isoflavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Isoflav-2-enes
- Direct Parent Name
- Isoflavones
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydroxyisoflavonoids", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives"]
- External Descriptor Annotations
- ["7-hydroxyisoflavones", "Isoflavonoids", "a 4'-hydroxyisoflavone", "an isoflavone", "isoflavones"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyisoflavonoid", "Isoflavone", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Pyran", "Pyranone"]
Spectra from Online Resources
Record ID | Source | Description | View |
---|---|---|---|
OUF00155 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
PB000821 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
PB000841 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
PB000842 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
PB000861 | MassBank | LC-ESI-QTOF Spectrum - 55 eV, unspecified | View Spectra |
PB002425 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
PB002426 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
PB002427 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
PB002428 | MassBank | LC-ESI-QTOF Spectrum - 55 eV, unspecified | View Spectra |
PR040007 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]- | View Spectra |
PR040008 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M-H]- | View Spectra |
PR040009 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M+H]+ | View Spectra |
PR040010 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+ | View Spectra |
PR100225 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100637 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100638 | MassBank | LC-ESI-QTOF Spectrum - 30 V, unspecified | View Spectra |
PS039701 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS039702 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
PS039703 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
PS039704 | ReSpect | N/A Spectrum - 40, [M+H]+ | View Spectra |
UF416301 | MassBank | LC-ESI-ITFT Spectrum - 35, unspecified | View Spectra |
UF416302 | MassBank | LC-ESI-ITFT Spectrum - 55, unspecified | View Spectra |
UF416303 | MassBank | LC-ESI-ITFT Spectrum - 50, unspecified | View Spectra |
UF416304 | MassBank | LC-ESI-ITFT Spectrum - 80, unspecified | View Spectra |
UF416351 | MassBank | LC-ESI-ITFT Spectrum - 35, unspecified | View Spectra |
UF416352 | MassBank | LC-ESI-ITFT Spectrum - 55, unspecified | View Spectra |
UF416353 | MassBank | LC-ESI-ITFT Spectrum - 50, unspecified | View Spectra |
UF416354 | MassBank | LC-ESI-ITFT Spectrum - 80, unspecified | View Spectra |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Daidzein | Daidzein | human | plasma, serum, urine | unchanged | 5h-8h | 0.5-2 µmol/L | Not Available | C15H10O4 | 254.057908802 | Publications | |||
Daidzein | Daidzein 7-O-glucuronide | human | plasma, urine | host metabolism | 5h-8h | 50-200 nmol/L | Not Available | C21H18O10 | 430.08999678 | Publications | |||
Daidzein | Daidzein 4'-O-glucuronide | human | plasma, urine | host metabolism | 3h-5h | 50-200 nmol/L | Not Available | C21H18O10 | 430.08999678 | Publications | |||
Daidzein | Daidzein 7-O-sulfate | human | plasma, urine | host metabolism | 1h-3h | 50-200 nmol/L | Not Available | C15H10O7S | 334.014723836 | Publications | |||
Daidzein | Dihydrodaidzein | human | plasma, urine | gut microbiota metabolite | 12h-24h | 50-200 nmol/L | Not Available | C15H12O4 | 256.073558866 | Publications | |||
Daidzein | Dihydrodaidzein 7-O-glucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C21H20O10 | 432.105646844 | Publications | |||
Daidzein | 6'-Hydroxy-O-desmethylangolensin | human | plasma | host-gut microbiota co-metabolite | 8h-12h | 50-200 nmol/L | Not Available | C15H14O5 | 274.084123551 | Publications | |||
Daidzein | Equol | human | plasma, serum, urine | gut microbiota metabolite | 12h-24h | 50-200 nmol/L | 10-30% | C15H14O3 | 242.094294311 | Publications | |||
Daidzein | O-Desmethylangolensin | human | plasma, urine | gut microbiota metabolite | 12h-24h | 50-200 nmol/L | Not Available | C15H14O4 | 258.089208931 | Publications | |||
Daidzein | 6-Hydroxydaidzein | human | plasma | host metabolism | 5h-8h | <20 nmol/L | Not Available | C15H10O5 | 270.052823422 | Publications | |||
Daidzein | 8-Hydroxydaidzein | human | plasma | host metabolism | 8h-12h | <20 nmol/L | Not Available | C15H10O5 | 270.052823422 | Publications | |||
Daidzein | 3'-Hydroxydaidzein | human | plasma | host metabolism | 5h-8h | 20-50 nmol/L | Not Available | C15H10O5 | 270.052823422 | Publications | |||
Daidzein | Daidzein-4',7-diglucuronide | human | plasma, urine | host metabolism | 1h-3h | 50-200 nmol/L | Not Available | C27H26O16 | 606.122084757 | Publications | |||
Daidzein | Daidzein-7-glucuronide-4'-sulfate | human | plasma, urine | host metabolism | 5h-8h | 200-500 nmol/L | Not Available | C21H18O13S | 510.046811814 | Publications | |||
Daidzein | Daidzein 4'-O-sulfate | human | plasma, urine | host metabolism | 3h-5h | 20-50 nmol/L | Not Available | C15H10O7S | 334.014723836 | Publications | |||
Daidzin | Daidzein | human | plasma | gut microbiota metabolite | 5h-8h | 2-5 µmol/L | Not Available | C15H10O4 | 254.057908802 | Publications | |||
6''-O-Malonyldaidzin | Daidzein | human | plasma | gut microbiota metabolite | 3h-5h | 50-200 nmol/L | Not Available | C15H10O4 | 254.057908802 | Publications | |||
Puerarin | Daidzein | human | plasma | gut microbiota metabolite | 1h-3h | <20 nmol/L | Not Available | C15H10O4 | 254.057908802 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value | |||
---|---|---|---|---|---|---|
Daidzein | Daidzein | Age | Effect, clusters | Publications | ||
Daidzein | Daidzein | Microbiota | Effect, clusters | Publications | ||
Daidzein | Daidzein | Sex | Effect, clusters | Publications | ||
Daidzein | Dihydrodaidzein | Microbiota | Effect, clusters | Publications | ||
Daidzein | 6'-Hydroxy-O-desmethylangolensin | Microbiota | Effect, clusters | Publications | ||
Daidzein | Equol | Genotype | Effect, clusters | Publications | ||
Daidzein | Equol | Microbiota | Effect, clusters | Publications | ||
Daidzein | Equol | Sex | Effect, clusters | Publications | ||
Daidzein | O-Desmethylangolensin | Microbiota | Effect, clusters | Publications |