Glyinflanin B
Basic information
- CAS
142750-23-0- Standard SMILES
CC1(C)C=Cc2cc(C(=O)CC(=O)c3ccc(O)cc3)c(O)cc2O1- InChIKey
KXBWVUQZNQMUBZ-UHFFFAOYSA-N- Molecular formula
- C20H18O5
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.11542367
Overview
Glyinflanin B has been reported in Glycyrrhiza eurycarpa, Glycyrrhiza glabra, and Glycyrrhiza inflata with data available.
Names & identifiers
- Preferred name
- Glyinflanin B
- IUPAC
- 1-(7-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)propane-1,3-dione
Names & synonyms
Glyinflanin B142750-23-01-(7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(4-hydroxy-phenyl)-propane-1,3-dioneDTXSID90162166RefChem:144023DTXCID90846571-(7-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)propane-1,3-dioneCHEMBL2437374LMPK121203871-(7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)propane-1,3-dione1-(7-hydroxy-2,2-dimethyl-chromen-6-yl)-3-(4-hydroxyphenyl)propane-1,3-dione
Database identifiers
- CAS
142750-23-0- PubChem CID
- 480799
- DTXSID
DTXSID90162166- ChEMBL
CHEMBL2437374- Nikkaji
- J1.465.663D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 544
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
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Related reactions
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Compound notes
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