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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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
Show metabolites
Caranine
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 2
Show metabolites
OCc1cc2c(cc1C1C(O)CC=C3CCNC31)OCO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Show metabolites
OC=c1cc2c(cc1=C1C(O)CC=C3CCNC31)OCO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 4
Show metabolites
OC=C1C=C2OCOC23OC3C1=C1C(O)CC=C2CCNC21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 5
Maximum generation reached — metabolites here can't start another hop.
epoxidation
Probability 0.59
0.59
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epoxidation
Probability 0.22
0.22
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epoxidation
Probability 0.19
0.19
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epoxidation
Probability 0.10
0.10
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