Basic information
- CAS
529-39-5- Standard SMILES
COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)C(=O)CC(c1ccc(O)cc1)O2- InChIKey
NEPMMBQHELYZIW-UHFFFAOYSA-N- Molecular formula
- C22H24O10
- Average molar mass
- 448.4 g/mol
- Monoisotopic mass
- 448.13694696
Overview
sakuranin has been reported in Daphne aurantiaca, Prunus serrulata, and Prunus with data available.
Names & identifiers
- Preferred name
- 2-(4-Hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
- IUPAC
- 2-(4-hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Names & synonyms
MLS003171608NSC407308SCHEMBL676523CHEMBL1998622NEPMMBQHELYZIW-UHFFFAOYSA-NLMPK12140564NCI60_003877SMR001875485NS00015853
Database identifiers
- CAS
529-39-5- PubChem CID
- 348162
- ChEMBL
CHEMBL1998622
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 638
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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