XenoSite
Azure c cation
CNc1ccc2nc3ccc(N)cc3[s+]c2c1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Select a metabolite to form the next generation.
epoxidation
Probability 0.18
0.18
epoxidation
Probability 0.18
0.18
epoxidation
Probability 0.09
0.09
epoxidation
Probability 0.09
0.09
epoxidation
Probability 0.08
0.08
Showing 5 of 20 metabolites
Show all
%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%224.358333333333333%22%20r%3D%220.5%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%224.358333333333333%22%20r%3D%220.5%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.8660254037844386%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%221%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.5%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.5%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.8660254037844386%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.5%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.5%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.5%22%20fill%3D%22rgb(255%2C47%2C0)%22%2F%3E%3Cline%20x1%3D%221.025%22%20y1%3D%221.375%22%20x2%3D%221.025%22%20y2%3D%222.897222222222222%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%221.025%22%20y1%3D%223.5972222222222223%22%20x2%3D%221.025%22%20y2%3D%225.119444444444445%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%220.6749999999999999%22%20y1%3D%222.136111111111111%22%20x2%3D%221.375%22%20y2%3D%222.136111111111111%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%220.6749999999999999%22%20y1%3D%224.358333333333333%22%20x2%3D%221.375%22%20y2%3D%224.358333333333333%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Ctext%20x%3D%221.025%22%20y%3D%221.025%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E1.0%3C%2Ftext%3E%3Ctext%20x%3D%221.025%22%20y%3D%223.2472222222222222%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E0.5%3C%2Ftext%3E%3Ctext%20x%3D%221.025%22%20y%3D%225.469444444444445%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E0.0%3C%2Ftext%3E%3C%2Fsvg%3E){kind=small}
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22103.1%22%20cy%3D%2266.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22168.7%22%20cy%3D%2230.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22190.4%22%20cy%3D%2231.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22168.0%22%20cy%3D%2268.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22189.6%22%20cy%3D%2268.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2281.5%22%20cy%3D%2266.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22157.5%22%20cy%3D%2249.1%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22200.8%22%20cy%3D%2250.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22147.1%22%20cy%3D%2230.1%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22212.0%22%20cy%3D%2231.5%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22124.7%22%20cy%3D%2267.1%22%20style%3D%22fill%3Argb(245%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22146.3%22%20cy%3D%2267.6%22%20style%3D%22fill%3Argb(230%2C239%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22114.3%22%20cy%3D%2248.2%22%20style%3D%22fill%3Argb(228%2C238%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22232.8%22%20cy%3D%2269.4%22%20style%3D%22fill%3Argb(228%2C238%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22211.2%22%20cy%3D%2268.9%22%20style%3D%22fill%3Argb(218%2C232%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22244.0%22%20cy%3D%2250.8%22%20style%3D%22fill%3Argb(178%2C206%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22125.5%22%20cy%3D%2229.7%22%20style%3D%22fill%3Argb(173%2C203%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22233.6%22%20cy%3D%2231.9%22%20style%3D%22fill%3Argb(89%2C144%2C255)%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_2a9efb301a%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_2a9efb301a%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_2a9efb301a%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_2a9efb301a%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m70.8%2059.8l17.8%2010.8%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m95.7%2070.8l18.3%20-10.2%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m114%2060.6l0.5%20-24.9%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m117.8%2058.6l0.4%20-20.7%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m114.5%2035.7l21.9%20-12.1%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m136.4%2023.6l21.4%2013%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m136.3%2028l17.7%2010.7%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m157.8%2036.6l18.4%20-10.1%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m183.2%2026.7l17.8%2010.8%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m181.2%2029.9l16.1%209.7%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m201%2037.5l21.9%20-12.1%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m222.9%2025.4l21.4%2013%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m222.8%2029.8l17.7%2010.6%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m244.3%2038.4l-0.5%2024.9%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m243.8%2063.3l17.8%2010.8%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-10%20atom-12%22%20d%3D%22m243.8%2063.3l-21.9%2012.1%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-10%20atom-12%22%20d%3D%22m240.1%2061.1l-18.1%209.9%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m221.9%2075.4l-21.4%20-13%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m200.5%2062.4l-14.8%208.2%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m196.8%2060.2l-12.9%207.1%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m175.5%2072.6l-18.2%20-11.1%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-15%20atom-16%22%20d%3D%22m157.3%2061.5l-21.9%2012.1%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-15%20atom-16%22%20d%3D%22m153.6%2059.3l-18.1%2010%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-16%20atom-2%22%20d%3D%22m135.4%2073.6l-21.4%20-13%22%2F%3E%3Cpath%20class%3D%22bond-17%20atom-15%20atom-5%22%20d%3D%22m157.3%2061.5l0.5%20-24.9%22%2F%3E%3Cpath%20class%3D%22bond-18%20atom-13%20atom-7%22%20d%3D%22m200.5%2062.4l0.5%20-24.9%22%2F%3E%3Cpath%20d%3D%22m114.5%2036.9l0%20-1.2%20l1.1%20-0.6%22%2F%3E%3Cpath%20d%3D%22m135.3%2024.2l1.1%20-0.6%20l1.1%200.7%22%2F%3E%3Cpath%20d%3D%22m221.8%2026l1.1%20-0.6%20l1.1%200.7%22%2F%3E%3Cpath%20d%3D%22m243.2%2037.7l1.1%200.7%20l0%201.2%22%2F%3E%3Cpath%20d%3D%22m223%2074.8l-1.1%200.6%20l-1.1%20-0.7%22%2F%3E%3Cpath%20d%3D%22m136.5%2073l-1.1%200.6%20l-1.1%20-0.7%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_2a9efb301a%22%3E%3Cpath%20class%3D%22atom-1%22%20d%3D%22M%2090.6%2069.1%20L%2092.9%2072.9%20Q%2093.1%2073.3%2C%2093.5%2073.9%20Q%2093.9%2074.6%2C%2093.9%2074.6%20L%2093.9%2069.1%20L%2094.8%2069.1%20L%2094.8%2076.2%20L%2093.9%2076.2%20L%2091.4%2072.1%20Q%2091.1%2071.6%2C%2090.8%2071.1%20Q%2090.5%2070.5%2C%2090.4%2070.4%20L%2090.4%2076.2%20L%2089.5%2076.2%20L%2089.5%2069.1%20L%2090.6%2069.1%20%22%2F%3E%3Cpath%20class%3D%22atom-1%22%20d%3D%22M%2089.4%2076.9%20L%2090.3%2076.9%20L%2090.3%2079.9%20L%2094.0%2079.9%20L%2094.0%2076.9%20L%2094.9%2076.9%20L%2094.9%2084.0%20L%2094.0%2084.0%20L%2094.0%2080.7%20L%2090.3%2080.7%20L%2090.3%2084.0%20L%2089.4%2084.0%20L%2089.4%2076.9%20%22%2F%3E%3Cpath%20class%3D%22atom-6%22%20d%3D%22M%20178.1%2021.0%20L%20180.4%2024.7%20Q%20180.7%2025.1%2C%20181.0%2025.8%20Q%20181.4%2026.5%2C%20181.4%2026.5%20L%20181.4%2021.0%20L%20182.4%2021.0%20L%20182.4%2028.1%20L%20181.4%2028.1%20L%20178.9%2024.0%20Q%20178.6%2023.5%2C%20178.3%2022.9%20Q%20178.0%2022.4%2C%20177.9%2022.2%20L%20177.9%2028.1%20L%20177.0%2028.1%20L%20177.0%2021.0%20L%20178.1%2021.0%20%22%2F%3E%3Cpath%20class%3D%22atom-11%22%20d%3D%22M%20263.6%2072.7%20L%20265.9%2076.5%20Q%20266.1%2076.8%2C%20266.5%2077.5%20Q%20266.9%2078.2%2C%20266.9%2078.2%20L%20266.9%2072.7%20L%20267.8%2072.7%20L%20267.8%2079.8%20L%20266.8%2079.8%20L%20264.4%2075.7%20Q%20264.1%2075.2%2C%20263.8%2074.7%20Q%20263.5%2074.1%2C%20263.4%2074.0%20L%20263.4%2079.8%20L%20262.5%2079.8%20L%20262.5%2072.7%20L%20263.6%2072.7%20%22%2F%3E%3Cpath%20class%3D%22atom-11%22%20d%3D%22M%20269.2%2072.7%20L%20270.1%2072.7%20L%20270.1%2075.7%20L%20273.7%2075.7%20L%20273.7%2072.7%20L%20274.7%2072.7%20L%20274.7%2079.8%20L%20273.7%2079.8%20L%20273.7%2076.5%20L%20270.1%2076.5%20L%20270.1%2079.8%20L%20269.2%2079.8%20L%20269.2%2072.7%20%22%2F%3E%3Cpath%20class%3D%22atom-11%22%20d%3D%22M%20276.1%2079.6%20Q%20276.3%2079.1%2C%20276.7%2078.9%20Q%20277.1%2078.6%2C%20277.6%2078.6%20Q%20278.4%2078.6%2C%20278.7%2079.0%20Q%20279.1%2079.4%2C%20279.1%2080.1%20Q%20279.1%2080.8%2C%20278.6%2081.4%20Q%20278.1%2082.0%2C%20277.1%2082.8%20L%20279.2%2082.8%20L%20279.2%2083.3%20L%20276.1%2083.3%20L%20276.1%2082.9%20Q%20276.9%2082.3%2C%20277.5%2081.8%20Q%20278.0%2081.4%2C%20278.2%2080.9%20Q%20278.5%2080.5%2C%20278.5%2080.1%20Q%20278.5%2079.6%2C%20278.3%2079.4%20Q%20278.0%2079.1%2C%20277.6%2079.1%20Q%20277.3%2079.1%2C%20277.0%2079.3%20Q%20276.8%2079.4%2C%20276.6%2079.8%20L%20276.1%2079.6%20%22%2F%3E%3Cpath%20class%3D%22atom-14%22%20d%3D%22M%20176.6%2076.9%20Q%20176.7%2076.9%2C%20177.1%2077.1%20Q%20177.4%2077.2%2C%20177.7%2077.3%20Q%20178.1%2077.4%2C%20178.5%2077.4%20Q%20179.1%2077.4%2C%20179.5%2077.1%20Q%20179.9%2076.7%2C%20179.9%2076.2%20Q%20179.9%2075.8%2C%20179.7%2075.5%20Q%20179.5%2075.3%2C%20179.2%2075.2%20Q%20178.9%2075.0%2C%20178.4%2074.9%20Q%20177.8%2074.7%2C%20177.4%2074.5%20Q%20177.1%2074.3%2C%20176.8%2074.0%20Q%20176.5%2073.6%2C%20176.5%2072.9%20Q%20176.5%2072.0%2C%20177.1%2071.5%20Q%20177.7%2070.9%2C%20178.9%2070.9%20Q%20179.7%2070.9%2C%20180.7%2071.3%20L%20180.4%2072.1%20Q%20179.6%2071.8%2C%20179.0%2071.8%20Q%20178.3%2071.8%2C%20177.9%2072.0%20Q%20177.5%2072.3%2C%20177.5%2072.8%20Q%20177.5%2073.2%2C%20177.7%2073.4%20Q%20177.9%2073.7%2C%20178.2%2073.8%20Q%20178.5%2073.9%2C%20179.0%2074.1%20Q%20179.6%2074.3%2C%20180.0%2074.5%20Q%20180.4%2074.7%2C%20180.6%2075.1%20Q%20180.9%2075.5%2C%20180.9%2076.2%20Q%20180.9%2077.1%2C%20180.2%2077.7%20Q%20179.6%2078.2%2C%20178.5%2078.2%20Q%20177.9%2078.2%2C%20177.4%2078.1%20Q%20176.9%2077.9%2C%20176.4%2077.7%20L%20176.6%2076.9%20%22%2F%3E%3Cpath%20class%3D%22atom-14%22%20d%3D%22M%20181.8%2072.1%20L%20183.1%2072.1%20L%20183.1%2070.8%20L%20183.6%2070.8%20L%20183.6%2072.1%20L%20184.9%2072.1%20L%20184.9%2072.6%20L%20183.6%2072.6%20L%20183.6%2073.9%20L%20183.1%2073.9%20L%20183.1%2072.6%20L%20181.8%2072.6%20L%20181.8%2072.1%20%22%2F%3E%3C%2Fg%3E%3C!--%20END%20OF%20HEADER%20--%3E%3C%2Fg%3E%3Cg%20class%3D%22overlay%22%3E%3Cg%20id%3D%22overlay_xeno_2a9efb301a%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B70.8%2C%2059.8%5D%2C%20%5B92.1%2C%2072.7%5D%2C%20%5B114.0%2C%2060.6%5D%2C%20%5B114.5%2C%2035.7%5D%2C%20%5B136.4%2C%2023.6%5D%2C%20%5B157.8%2C%2036.6%5D%2C%20%5B179.7%2C%2024.5%5D%2C%20%5B201.0%2C%2037.5%5D%2C%20%5B222.9%2C%2025.4%5D%2C%20%5B244.3%2C%2038.4%5D%2C%20%5B243.8%2C%2063.3%5D%2C%20%5B265.1%2C%2076.3%5D%2C%20%5B221.9%2C%2075.4%5D%2C%20%5B200.5%2C%2062.4%5D%2C%20%5B178.6%2C%2074.5%5D%2C%20%5B157.3%2C%2061.5%5D%2C%20%5B135.4%2C%2073.6%5D%5D%2C%20%26quot%3Bscale%26quot%3B%3A%2020%7D%3C%2Fscript%3E%3C%2Fsvg%3E)