Basic information
- Standard SMILES
C=C(C)[C@H](O)Cc1c(O)cc2oc(CO)cc(=O)c2c1O- InChIKey
IMUBQSKBJMYNOH-SNVBAGLBSA-N- Molecular formula
- C15H16O6
- Average molar mass
- 292.28 g/mol
- Monoisotopic mass
- 292.09468823
Overview
5,7-dihydroxy-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]chromen-4-one has been reported in Cnidium monnieri with data available.
Names & identifiers
- Preferred name
- 5,7-dihydroxy-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]chromen-4-one
- IUPAC
- 5,7-dihydroxy-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]chromen-4-one
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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