Identification

PhytoHub ID
PHUB000401
Name
Glabranin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
324.376
Monoisotopic Mass
324.136159124
Chemical Formula
C20H20O4
IUPAC Name
5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
InChI Key
DAWSYIQAGQMLFS-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3
SMILES
CC(C)=CCC1=C2OC(CC(=O)C2=C(O)C=C1O)C1=CC=CC=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.69e-02 g/l
LogS (ALOGPS)
-4.28
LogP (ALOGPS)
3.59
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
3
Polar Surface Area
66.76
Refractivity
93.55169999999998
Polarizability
35.33427426231945
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.960717006082008
pKa (strongest acidic)
7.697870351830671
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra

Record IDSourceDescriptionView
BML00108MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML00120MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML00140MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML00147MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML00154MassBankLC-ESI-QTOF Spectrum - 40 ev, unspecifiedView Spectra
BML81300MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
BML81301MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra

Food Sources

No food source information available

Metabolism

No metabolism information available

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