Molecular Identity
Daphnetin
7,8-dihydroxychromen-2-one
PubChem CID: 5280569
7,8-dihydroxycoumarin is a hydroxycoumarin.
2D Structure
Properties
C9H6O4
Molecular Formula
178.14
Molecular Weight
g/mol
178.0266
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
66.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
248
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)O)OIsomeric SMILES
SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)O)OSynonyms(20)
daphnetin486-35-17,8-DihydroxycoumarinDaphnetol7,8-Dihydroxy-2H-chromen-2-one7,8-Dihydroxy-2H-1-benzopyran-2-one7,8-dihydroxychromen-2-one2H-1-Benzopyran-2-one, 7,8-dihydroxy-XC84571RD2NSC-633563DTXSID00197560CHEBI:17313RefChem:585182DTXCID60120051207-632-8
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Daphnetin
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