precursor
Showing entry for Pinocembrin
Identification
- PhytoHub ID
- PHUB000396
- Name
- Pinocembrin
- Synonyms
- 5,7-Dihydroxyflavanone
- Dihydrochrysin
- CAS Number
- Not Available
- Average Mass
- 256.257
- Monoisotopic Mass
- 256.073558866
- Chemical Formula
- C15H12O4
- IUPAC Name
- pinocembrin
- InChI Key
- URFCJEUYXNAHFI-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2
- SMILES
OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=CC=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.88e-01 g/l
- LogS (ALOGPS)
- -3.14
- LogP (ALOGPS)
- 2.85
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 66.76
- Refractivity
- 69.30890000000001
- Polarizability
- 26.271680082749356
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.950227971056941
- pKa (strongest acidic)
- 7.866811828409287
External Links
- PubChem
- 238782
- Chemistry Dashboard
- DTXSID80285959
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Spectra
Record ID | Source | Description | View |
---|---|---|---|
BML00105 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
BML00117 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
BML00129 | MassBank | LC-ESI-QTOF Spectrum - 40 ev, unspecified | View Spectra |
BML00135 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
BML00137 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
BML00145 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
BML00152 | MassBank | LC-ESI-QTOF Spectrum - 40 ev, unspecified | View Spectra |
BML00869 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
BML00878 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
BML00887 | MassBank | LC-ESI-QTOF Spectrum - 40 ev, unspecified | View Spectra |
BML00892 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
BML00897 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
BML00902 | MassBank | LC-ESI-QTOF Spectrum - 40 ev, unspecified | View Spectra |
BML81965 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
BML81966 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
BML81970 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
BML81971 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
JP000718 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
No food source information available
Metabolism
No metabolism information available