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
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
External Links
- ChEBI
- 18388
- PubChem
- 5280443
- Chemistry Dashboard
- DTXSID6022391
- KNApSAcK
- C00003817
- MetaboLights
- MTBLC18388
- Phenol-Explorer
- 228
- FooDB (Compounds)
- FDB002798
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Spectra
Record ID | Source | Description | View |
---|---|---|---|
BML00404 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
BML00418 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
BML00444 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
BML00454 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
BML00464 | MassBank | LC-ESI-QTOF Spectrum - 40 ev, unspecified | View Spectra |
BML80760 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
BML80761 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
FIO00006 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
FIO00007 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
FIO00008 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
FIO00009 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
FIO00010 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
FIO00011 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
FIO00012 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
FIO00013 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
FIO00014 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
FIO00015 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
ML002601 | MassBank | LC-ESI-ITFT Spectrum - 50 % (nominal), unspecified | View Spectra |
OUF00116 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
OUF00117 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
PR040001 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]- | View Spectra |
PR040002 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M-H]- | View Spectra |
PR040003 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M+H]+ | View Spectra |
PR040004 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+ | View Spectra |
PR100223 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100224 | MassBank | LC-ESI-QTOF Spectrum - 30 V, unspecified | View Spectra |
PR100634 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PS039301 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS039302 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
PS039303 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
PS039304 | ReSpect | N/A Spectrum - 40, [M+H]+ | View Spectra |
PS039307 | ReSpect | N/A Spectrum - 10, [M-H]- | View Spectra |
PS039308 | ReSpect | N/A Spectrum - 20, [M-H]- | View Spectra |
PS039309 | ReSpect | N/A Spectrum - 30, [M-H]- | View Spectra |
TY000119 | MassBank | LC-ESI-ITTOF Spectrum - -, [M+H]+ | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Celery leaves | Herbs and Spices | Publications | Show | |
Celery stalks | Vegetables, Other vegetables | Publications | Show | |
Chamomile tea | Teas and herbal teas | Publications | Show | |
Common oregano | Herbs and Spices | Publications | Show | |
Globe artichoke | Vegetables, Other vegetables | Publications | Show | |
Parsley | Herbs and Spices | Publications | Show |
Metabolism
No metabolism information available