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
Actinodaphnine
COc1cc2c(cc1O)CC1NCCc3cc4c(c-2c31)OCO4
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
COC12C=C3C(=CC1(O)O2)CC1NCCc2cc4c(c3c21)OCO4
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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
COC12C=C3C(=CC1(O)O2)CC(=O)c1c(CCN)cc2c(c13)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
COC1=CC(=CCN)C2=C(C1=O)C1=CC3(OC)OC3(O)C=C1CC2=O
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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 4
Show metabolites
Methanol
CO
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.
hydroxylation
Probability 0.04
0.04
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Methandiol
dehydrogenation
Probability 0.00
0.00
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Formaldehyde
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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