precursor
Showing entry for Garbanzol
Identification
- PhytoHub ID
- PHUB000400
- Name
- Garbanzol
- Synonyms
- 3,7,4'-Trihydroxyflavanone
- CAS Number
- Not Available
- Average Mass
- 272.256
- Monoisotopic Mass
- 272.068473486
- Chemical Formula
- C15H12O5
- IUPAC Name
- (3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
- InChI Key
- VRTGGIJPIYOHGT-MLCCFXAWSA-N
- InChI Identifier
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15?/m0/s1
- SMILES
O[C@@H]1C(OC2=C(C=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 6.99e-01 g/l
- LogS (ALOGPS)
- -2.59
- LogP (ALOGPS)
- 1.40
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 1
- Polar Surface Area
- 86.99000000000001
- Refractivity
- 70.64710000000001
- Polarizability
- 27.15809634181972
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.016086728399542
- pKa (strongest acidic)
- 7.688456782908197
External Links
No external links
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Spectra
Record ID | Source | Description | View |
---|---|---|---|
JP010999 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
No food source information available
Metabolism
No metabolism information available