Identification

PhytoHub ID
PHUB000383
Name
Isosakuranin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
448.424
Monoisotopic Mass
448.136946973
Chemical Formula
C22H24O10
IUPAC Name
isosakuranin
InChI Key
KEEWIHDTSNESJZ-NKGQIIMOSA-N
InChI Identifier
InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3/t15?,17-,19?,20-,21-,22-/m1/s1
SMILES
COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)C(O)[C@@H](O)[C@H]3O)C=C2O1
Structure

Calculated Properties

Solubility (ALOGPS)
1.02e+00 g/l
LogS (ALOGPS)
-2.64
LogP (ALOGPS)
0.47
Hydrogen Acceptors
10
Hydrogen Donors
5
Rotatable Bond Count
5
Polar Surface Area
155.14
Refractivity
107.91650000000001
Polarizability
44.52525994987255
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9810923437586574
pKa (strongest acidic)
8.638941799172821
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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