precursor

Showing entry for Apigenin

Identification

PhytoHub ID
PHUB000861
Name
Apigenin
Synonyms
  • 5,7,4'-Trihydroxyflavone
CAS Number
Not Available
Average Mass
270.2369
Monoisotopic Mass
270.05282343
Chemical Formula
C15H10O5
IUPAC Name
chamomile
InChI Key
KZNIFHPLKGYRTM-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
SMILES
OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
Structure
MOLSDFPDBSMILESInChI

Calculated Properties

Solubility (ALOGPS)
1.18e-01 g/l
LogS (ALOGPS)
-3.36
LogP (ALOGPS)
3.07
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
86.99000000000001
Refractivity
72.91390000000001
Polarizability
26.78231868537869
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-5.381179969028214
pKa (strongest acidic)
6.5746917607523745
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavones

Spectra

Record IDSourceDescriptionView
BML00404MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML00418MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML00444MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML00454MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML00464MassBankLC-ESI-QTOF Spectrum - 40 ev, unspecifiedView Spectra
BML80760MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
BML80761MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
FIO00006MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
FIO00007MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
FIO00008MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
FIO00009MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
FIO00010MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra
FIO00011MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
FIO00012MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
FIO00013MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
FIO00014MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
FIO00015MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra
ML002601MassBankLC-ESI-ITFT Spectrum - 50 % (nominal), unspecifiedView Spectra
OUF00116MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
OUF00117MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR040001MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]-View Spectra
PR040002MassBankLC-ESI-QTOF Spectrum - 30 eV, [M-H]-View Spectra
PR040003MassBankLC-ESI-QTOF Spectrum - 30 eV, [M+H]+View Spectra
PR040004MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+View Spectra
PR100223MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PR100224MassBankLC-ESI-QTOF Spectrum - 30 V, unspecifiedView Spectra
PR100634MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS039301ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS039302ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS039303ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS039304ReSpectN/A Spectrum - 40, [M+H]+View Spectra
PS039307ReSpectN/A Spectrum - 10, [M-H]-View Spectra
PS039308ReSpectN/A Spectrum - 20, [M-H]-View Spectra
PS039309ReSpectN/A Spectrum - 30, [M-H]-View Spectra
TY000119MassBankLC-ESI-ITTOF Spectrum - -, [M+H]+View Spectra

Food Sources

NameGroup
Celery leavesHerbs and Spices PublicationsShow
Celery stalksVegetables, Other vegetables PublicationsShow
Chamomile teaTeas and herbal teas PublicationsShow
Common oreganoHerbs and Spices PublicationsShow
Globe artichokeVegetables, Other vegetables PublicationsShow
ParsleyHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

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