Basic information
- CAS
113558-13-7- Standard SMILES
C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)[C@H](O)[C@H](O)[C@H]1O- InChIKey
FRKNVAWDQIICIE-JVERBMLMSA-N- Molecular formula
- C26H26O10
- Average molar mass
- 498.5 g/mol
- Monoisotopic mass
- 498.15259702
Overview
Ikarisoside E is a glycoside and a member of flavonoids.
Names & identifiers
- Preferred name
- Ikarisoside E
- IUPAC
- 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrano[2,3-h]chromen-4-one
Names & synonyms
Ikarisoside E113558-13-74H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-SCHEMBL30377102DTXSID80150456CHEBI:179872C26H26O10LMPK121118385-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrano[2,3-h]chromen-4-one4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-pyrano[2,3-h]chromen-4-one5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4-oxo-4H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl 6-deoxy-alpha-L-mannopyranoside
Database identifiers
- CAS
113558-13-7- PubChem CID
- 5481979
- DTXSID
DTXSID80150456- ChEBI
CHEBI:179872
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 906
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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