Molecular Identity
Orellanine
2-(1,3-dihydroxy-4-oxo-2-pyridinyl)-1,3-dihydroxypyridin-4-one
PubChem CID: 89579
Orellanine is a member of bipyridines.
2D Structure
Properties
C10H8N2O6
Molecular Formula
252.18
Molecular Weight
g/mol
252.0382
Exact Mass
Da
-1
XLogP
Drug-like (Lipinski: < 5)
122
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
8
H-Bond Acceptors
507
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Orellanine37338-80-02-(1,3-dihydroxy-4-oxopyridin-2-yl)-1,3-dihydroxypyridin-4-one(2,2'-Bipyridine)-3,3',4,4'-tetrol, 1,1'-dioxide[2,2'-Bipyridine]-3,3',4,4'-tetrol, 1,1'-dioxideORELLANINE [HSDB]SCHEMBL388071082U1GSX3DCHEMBL2152646SCHEMBL31022844CHEBI:190273MBA33880HY-W661499DA-76453CS-0745189
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Orellanine
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