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
MOLSDF3D-SDFPDBSMILESInChI View 3D 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
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra

Record IDSourceDescriptionView
BML00105MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML00117MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML00129MassBankLC-ESI-QTOF Spectrum - 40 ev, unspecifiedView Spectra
BML00135MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML00137MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML00145MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML00152MassBankLC-ESI-QTOF Spectrum - 40 ev, unspecifiedView Spectra
BML00869MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML00878MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML00887MassBankLC-ESI-QTOF Spectrum - 40 ev, unspecifiedView Spectra
BML00892MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML00897MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML00902MassBankLC-ESI-QTOF Spectrum - 40 ev, unspecifiedView Spectra
BML81965MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
BML81966MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
BML81970MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
BML81971MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
JP000718MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

No food source information available

Metabolism

No metabolism information available

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