CHEBI:7599
(1S,2R,3S,7R,9R,10R,11S,12R)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
Molecular Identity
CHEBI:7599
(1S,2R,3S,7R,9R,10R,11S,12R)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
PubChem CID: 440908
Nivalenol is a trichothecene.
2D Structure
Properties
C15H20O7
Molecular Formula
312.31
Molecular Weight
g/mol
312.1209
Exact Mass
Da
-1.7
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
588
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(7)
CHEBI:7599Epitope ID:2151205SCHEMBL15520333C06080F82394Q27107536NIV
Data from PubChem (NCBI)
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