Chrysin
precursor
Showing entry for Chrysin
Identification
- PhytoHub ID
- PHUB000870
- Name
- Chrysin
- Systematic Name
- Not Available
- Synonyms
- 5,7-Dihydroxyflavone
- CAS Number
- Not Available
- Average Mass
- 254.241
- Monoisotopic Mass
- 254.057908802
- Chemical Formula
- C15H10O4
- IUPAC Name
- 5,7-dihydroxy-2-phenyl-4H-chromen-4-one
- InChI Key
- RTIXKCRFFJGDFG-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
- SMILES
OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1
- Structure
Structure for Chrysin
Calculated Properties
- Solubility (ALOGPS)
- 1.05e-01 g/l
- LogS (ALOGPS)
- -3.38
- LogP (ALOGPS)
- 3.44
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 66.76
- Refractivity
- 70.933
- Polarizability
- 25.727745149733636
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.382203662884746
- pKa (strongest acidic)
- 6.577777051084265
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 5281607
- ChEBI
- 75095
- Chemistry Dashboard
- DTXSID1022396
- KNApSAcK
- C00003794
- MetaboLights
- MTBLC75095
- Phenol-Explorer
- 240
- FooDB (Compounds)
- FDB015535
- PeakForestCompound
- 000669
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Flavones
- Direct Parent Name
- Flavones
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives", "Vinylogous acids"]
- External Descriptor Annotations
- ["7-hydroxyflavonol", "Flavones and Flavonols", "dihydroxyflavone", "flavones"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Pyran", "Pyranone", "Vinylogous acid"]
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| BML01054 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
| BML01057 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
| BML01060 | MassBank | LC-ESI-QTOF Spectrum - 40 ev, unspecified | View Spectra |
| BML01063 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
| BML01066 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
| BML01069 | MassBank | LC-ESI-QTOF Spectrum - 40 ev, unspecified | View Spectra |
| BML80935 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
| BML80936 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
| FIO00023 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
| FIO00024 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
| FIO00025 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
| FIO00026 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
| FIO00027 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
| FIO00028 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
| FIO00029 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
| FIO00030 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
| FIO00031 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
| FIO00032 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
Food Sources
No food source information available
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Chrysin | Chrysin | rat | plasma | unchanged | 3h-5h | <20 nmol/L | No data | C15H10O4 | 254.057908802 | Publications | |||
| Chrysin | Chrysin glucuronide | rat | plasma | host metabolism | 5h-8h | 50-200 nmol/L | No data | Publications | |||||
| Chrysin | Chrysin sulfate | rat | plasma | host metabolism | 5h-8h | 50-200 nmol/L | No data | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|