Substrate
/
Generation 1
/
Generation 2
XenoSite
Baeocystin
C[NH2+]CCc1c[nH]c2cccc(OP(=O)([O-])[O-])c12
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
C[NH2+]CCC1=CN=C2C(=O)C=CC(OP(=O)([O-])[O-])=C12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
C[NH2+]CCC(=C=O)C1=C(OP(=O)([O-])[O-])C=CC(=O)C1=N
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dealkylation · 0.08
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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![C[NH2+]CCC1=CN=C2C(=O)C=CC(OP(=O)([O-])[O-])=C12 N-Dealkylation prediction](data:image/svg+xml;utf8,%3C%3Fxml%20version%3D%221.0%22%20%3F%3E%3Csvg%20xmlns%3D%22http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%22%20xmlns%3Axlink%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2Fxlink%22%20version%3D%221.1%22%20baseProfile%3D%22full%22%20xml%3Aspace%3D%22preserve%22%20width%3D%22218.4%22%20height%3D%22190.7%22%20viewBox%3D%2225.2%2019.8%20218.4%20190.7%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_58f5749491%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2297.6%22%20cy%3D%22127.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2296.7%22%20cy%3D%22148.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2262.7%22%20cy%3D%2260.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2261.0%22%20cy%3D%22104.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2281.0%22%20cy%3D%2272.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22131.5%22%20cy%3D%2278.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2279.3%22%20cy%3D%22115.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2261.8%22%20cy%3D%2282.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22102.2%22%20cy%3D%2263.9%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2298.4%22%20cy%3D%22105.6%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22117.4%22%20cy%3D%2292.9%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2299.3%22%20cy%3D%2283.9%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22159.6%22%20cy%3D%22104.8%22%20style%3D%22fill%3Argb(246%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22100.6%22%20cy%3D%22166.0%22%20style%3D%22fill%3Argb(241%2C246%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22138.7%22%20cy%3D%2299.5%22%20style%3D%22fill%3Argb(235%2C243%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22180.6%22%20cy%3D%22110.1%22%20style%3D%22fill%3Argb(209%2C226%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22122.1%22%20cy%3D%2260.5%22%20style%3D%22fill%3Argb(178%2C206%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2279.5%22%20cy%3D%22152.7%22%20style%3D%22fill%3Argb(174%2C204%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2283.4%22%20cy%3D%22169.9%22%20style%3D%22fill%3Argb(174%2C204%2C255)%22%2F%3E%3Ccircle%20r%3D%229.3%22%20cx%3D%22201.6%22%20cy%3D%22115.4%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22201.6%22%20cy%3D%22115.4%22%20style%3D%22fill%3Argb(0%2C98%2C246)%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22mol_halo%22%20style%3D%22stroke%3Awhite%3Bopacity%3A0.5%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22mol_halo_xeno_58f5749491%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_58f5749491%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_58f5749491%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23000000%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_58f5749491%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m213.6%20112l-16.1%204.6%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m186%20115.4l-14.3%20-14%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m171.7%20101.4l-24.1%206.8%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m147.6%20108.2l-17.9%20-17.5%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m129.7%2090.7l3.6%20-24.7%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m126.4%2087.5l2.8%20-19.3%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m133.3%2066l-18.9%20-9.3%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m107.4%2058.6l-13.9%2014.3%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m110.1%2061.2l-12.1%2012.3%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m93.5%2072.9l-25%20-1%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m70.6%2072l-9.7%20-18.6%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m67.3%2073.7l-9.7%20-18.5%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-8%20atom-10%22%20d%3D%22m68.5%2071.9l-13.3%2021.1%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m55.2%2093l11.6%2022.1%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m59.5%2093.2l9.6%2018.3%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m66.8%20115.1l25%201%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m91.8%20116.1l9.3%2017.7%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m100.6%2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