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
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
External Links
- PubChem
- 42607950
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