Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Alpha-cyclopiazonate
CC(O)=C1C(=O)C2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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CC(O)=C1C(=O)C2C3C4=CN=C5C(=O)C=CC(=C45)CC3C(C)(C)N2C1=O
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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 2
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CC(O)=C1C(=O)C2C3C4=CN=C5CC=CC(=C45)CC3C(C)(C)N2C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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CC(O)=C1C(=O)NC(C2C3=CN=C4CC=CC(=C34)CC2C(C)(C)O)C1=O
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dealkylation ยท 0.08
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation