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
MOLSDFPDBSMILESInChI

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
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra

Record IDSourceDescriptionView
JP010999MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

No food source information available

Metabolism

No metabolism information available

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