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
Anileridine
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CCOC(=O)C1(c2ccccc2)CCN(CC=C2C=CC(N)=CC2=O)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCOC(=O)C1(c2ccccc2)CCN(CC2OC23C=CC(N)=CC3=O)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
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NC1=CC(=O)C2(C=C1)OC2CN1CCC(C=O)(c2ccccc2)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Show metabolites
NC1=CC(=O)C2(C=C1)OC2CNCCC(C=O)(CC(=O)O)c1ccccc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 5
Maximum generation reached — metabolites here can't start another hop.
epoxidation
Probability 0.26
0.26
epoxidation
Probability 0.03
0.03
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.00
0.00
epoxidation
Probability 0.00
0.00