FS-1
(4S)-4-[(1R,2S)-2-hydroxy-1,4-dimethylcyclohex-3-en-1-yl]-3-(hydroxymethyl)-4-methylcyclopent-2-en-1-one
Molecular Identity
FS-1
(4S)-4-[(1R,2S)-2-hydroxy-1,4-dimethylcyclohex-3-en-1-yl]-3-(hydroxymethyl)-4-methylcyclopent-2-en-1-one
PubChem CID: 21634730
2D Structure
Properties
C15H22O3
Molecular Formula
250.33
Molecular Weight
g/mol
250.1569
Exact Mass
Da
0.5
XLogP
Drug-like (Lipinski: < 5)
57.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
435
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(10)
FS-1FS-1 toxin104903-79-91O6GI4G6O7UNII-1O6GI4G6O7(4S)-4-((1R,2S)-2-Hydroxy-1,4-dimethyl-3-cyclohexen-1-yl)-3-(hydroxymethyl)-4-methyl-2-cyclopenten-1-one(4S)-4-[(1R,2S)-2-hydroxy-1,4-dimethylcyclohex-3-en-1-yl]-3-(hydroxymethyl)-4-methylcyclopent-2-en-1-one2-Cyclopenten-1-one, 4-((1R,2S)-2-hydroxy-1,4-dimethyl-3-cyclohexen-1-yl)-3-(hydroxymethyl)-4-methyl-, (4S)-GGGYNDMJSLHHEM-KKUMJFAQSA-NSCHEMBL29351909
Data from PubChem (NCBI)
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Drug Network
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