Molecular Identity
Isoflavone
3-phenylchromen-4-one
PubChem CID: 72304
Isoflavone is a simplest member of the class of isoflavones that is 4H-chromen-4-one in which the hydrogen at position 3 is replaced by a phenyl group.
2D Structure
Properties
C15H10O2
Molecular Formula
222.24
Molecular Weight
g/mol
222.0681
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
26.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
326
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Isoflavone574-12-93-Phenylchromone3-phenyl-4H-1-benzopyran-4-oneisoflavonOVO2KUW8H8NSC-135405NSC135405CHEBI:18220DTXSID90205986HomoisoflavoneIsoflavonesIsoflavone DerivativeDerivative, Isoflavone3 Benzylchroman 4 One
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Isoflavone
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