Sakuranetin
precursor
Showing entry for Sakuranetin
Identification
- PhytoHub ID
- PHUB000398
- Name
- Sakuranetin
- Systematic Name
- Not Available
- Synonyms
- 5,4'-Dihydroxy-7-methoxyflavanone
- 7-Methylnaringenin
- CAS Number
- Not Available
- Average Mass
- 286.283
- Monoisotopic Mass
- 286.084123551
- Chemical Formula
- C16H14O5
- IUPAC Name
- 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
- InChI Key
- DJOJDHGQRNZXQQ-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3
- SMILES
COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=C(O)C=C1
- Structure
Structure for Sakuranetin
Calculated Properties
- Solubility (ALOGPS)
- 8.83e-02 g/l
- LogS (ALOGPS)
- -3.51
- LogP (ALOGPS)
- 2.86
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 2
- Polar Surface Area
- 75.99000000000001
- Refractivity
- 75.77210000000001
- Polarizability
- 29.408474828418044
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.601141020848354
- pKa (strongest acidic)
- 8.62401089215263
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| JP000730 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| OUF00449 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
| OUF00450 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
| PS086601 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
| PS086602 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
| PS086603 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
| PS086604 | ReSpect | N/A Spectrum - 40, [M+H]+ | View Spectra |
| PS086605 | ReSpect | N/A Spectrum - 50, [M+H]+ | View Spectra |
| TY000141 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
| TY000142 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available