Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
XenoSite
Acetylcaranine
CC(=O)OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
CC(=O)OC1CC=C2CCNC2C1c1cc2c(cc1CO)OCO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CC(=O)OC1CC=C2CCNC2C1C1=CC2=C(OCO2)C2OC12CO
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Show metabolites
CC(=O)OC1CC=C2CCNC2C1C1=CC(O)=C(OC=O)C2OC12CO
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Show metabolites
Formaldehyde
C=O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 5
Maximum generation reached — metabolites here can't start another hop.
hydrogenation
Probability 0.44
0.44
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Methanol
hydroxylation
Probability 0.01
0.01
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Formic acid
dehydration
Probability 0.00
0.00
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Tennesine hydride
dehydration
Probability 0.00
0.00
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15o
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