precursor

Showing entry for Isosakuranin

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
MOLSDF3D-SDFPDBSMILESInChI View 3D 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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