Genistein
precursor
Showing entry for Genistein
Identification
- PhytoHub ID
- PHUB000225
- Name
- Genistein
- Systematic Name
- Not Available
- Synonyms
- 5,7,4'-Trihydroxyisoflavone
- Genisteol
- Prunetol
- Sophoricol
- CAS Number
- Not Available
- Average Mass
- 270.24
- Monoisotopic Mass
- 270.052823422
- Chemical Formula
- C15H10O5
- IUPAC Name
- genistein
- InChI Key
- TZBJGXHYKVUXJN-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
- SMILES
OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
- Structure
Structure for Genistein
Calculated Properties
- Solubility (ALOGPS)
- 1.23e-01 g/l
- LogS (ALOGPS)
- -3.34
- LogP (ALOGPS)
- 3.04
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 1
- Polar Surface Area
- 86.99000000000001
- Refractivity
- 71.68289999999999
- Polarizability
- 26.582127831950192
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.345613136233476
- pKa (strongest acidic)
- 6.5462698153602235
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 28088
- PubChem
- 5280961
- Chemistry Dashboard
- DTXSID5022308
- KNApSAcK
- C00002526
- MetaboLights
- MTBLC28088
- Phenol-Explorer
- 396
- FooDB (Compounds)
- FDB011828
- Exposome Explorer
- 3
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Isoflavones
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", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydroxyisoflavonoids", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives", "Vinylogous acids"]
- External Descriptor Annotations
- ["7-hydroxyisoflavones", "Isoflavonoids", "isoflavones"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-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", "Vinylogous acid"]
Spectra
| Record ID | Source | Description | View |
|---|---|---|---|
| CE000011 | MassBank | LC-ESI-ITFT Spectrum - 35eV, unspecified | View Spectra |
| CE000012 | MassBank | LC-ESI-ITFT Spectrum - 45eV, unspecified | View Spectra |
| CE000013 | MassBank | LC-ESI-ITFT Spectrum - 55eV, unspecified | View Spectra |
| CE000014 | MassBank | LC-ESI-ITFT Spectrum - -, unspecified | View Spectra |
| OUF00238 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
| PB000881 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
| PB000882 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
| PB000884 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
| PB000885 | MassBank | LC-ESI-QTOF Spectrum - 55 eV, unspecified | View Spectra |
| PB005712 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
| PB005713 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
| PB005714 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
| PB005715 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
| PB005721 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
| PR040019 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M-H]- | View Spectra |
| PR040020 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M+H]+ | View Spectra |
| PR040021 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+ | View Spectra |
| PS040001 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
| PS040002 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
| PS040003 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
| PS040004 | ReSpect | N/A Spectrum - 40, [M+H]+ | View Spectra |
| TY000136 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
| TY000137 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
| UF416201 | MassBank | LC-ESI-ITFT Spectrum - 35, unspecified | View Spectra |
| UF416202 | MassBank | LC-ESI-ITFT Spectrum - 55, unspecified | View Spectra |
| UF416203 | MassBank | LC-ESI-ITFT Spectrum - 50, unspecified | View Spectra |
| UF416204 | MassBank | LC-ESI-ITFT Spectrum - 80, unspecified | View Spectra |
| UF416251 | MassBank | LC-ESI-ITFT Spectrum - 35, unspecified | View Spectra |
| UF416252 | MassBank | LC-ESI-ITFT Spectrum - 55, unspecified | View Spectra |
| UF416253 | MassBank | LC-ESI-ITFT Spectrum - 50, unspecified | View Spectra |
| UF416254 | MassBank | LC-ESI-ITFT Spectrum - 80, unspecified | View Spectra |
Food Sources
No food source information available
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|---|
| Genistein | Dihydrogenistein | human | urine | host metabolism | C15H12O5 | 272.068473486 | Publications | ||
| Genistein | Genistein 7-O-glucuronide | human | urine | host metabolism | C21H18O11 | 446.0849114 | Publications | ||
| Genistein | Genistein O-sulfate | Not Available | Not Available | host metabolism | |||||
| Genistein | 6'-Hydroxy-O-desmethylangolensin | human | urine | host metabolism | C15H14O5 | 274.084123551 | Publications |