Substrate
/
Generation 1
XenoSite
Amrinone
Nc1cc(-c2ccncc2)c[nH]c1=O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
NC1=CC(=C2C=CN=CC2=O)C(=O)NC1=O
Copy JSON
quinone formation · 0.00
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2255.2%22%20cy%3D%2259.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22165.1%22%20cy%3D%2228.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22204.2%22%20cy%3D%2246.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22104.9%22%20cy%3D%2255.3%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2290.6%22%20cy%3D%2234.9%22%20style%3D%22fill%3Argb(248%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2294.4%22%20cy%3D%2277.9%22%20style%3D%22fill%3Argb(248%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2265.7%22%20cy%3D%2237.1%22%20style%3D%22fill%3Argb(242%2C247%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2269.5%22%20cy%3D%2280.1%22%20style%3D%22fill%3Argb(242%2C247%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22144.0%22%20cy%3D%2273.5%22%20style%3D%22fill%3Argb(209%2C226%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22129.7%22%20cy%3D%2253.1%22%20style%3D%22fill%3Argb(131%2C175%2C255)%22%2F%3E%3Ccircle%20r%3D%2210.1%22%20cx%3D%22140.2%22%20cy%3D%2230.5%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2216.0%22%20cx%3D%22179.4%22%20cy%3D%2248.7%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2216.1%22%20cx%3D%22168.9%22%20cy%3D%2271.3%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22140.2%22%20cy%3D%2230.5%22%20style%3D%22fill%3Argb(0%2C123%2C215)%22%2F%3E%3Ccircle%20r%3D%2213.2%22%20cx%3D%22179.4%22%20cy%3D%2248.7%22%20style%3D%22fill%3Argb(0%2C200%2C36)%22%2F%3E%3Ccircle%20r%3D%2213.4%22%20cx%3D%22168.9%22%20cy%3D%2271.3%22%20style%3D%22fill%3Argb(0%2C200%2C36)%22%2F%3E%3Ccircle%20r%3D%229.7%22%20cx%3D%22179.4%22%20cy%3D%2248.7%22%20style%3D%22fill%3Argb(197%2C204%2C0)%22%2F%3E%3Ccircle%20r%3D%229.9%22%20cx%3D%22168.9%22%20cy%3D%2271.3%22%20style%3D%22fill%3Argb(197%2C204%2C0)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22179.4%22%20cy%3D%2248.7%22%20style%3D%22fill%3Argb(214%2C191%2C0)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22168.9%22%20cy%3D%2271.3%22%20style%3D%22fill%3Argb(220%2C183%2C0)%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_52428d224c%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_52428d224c%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_52428d224c%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_52428d224c%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m180.1%2087.4l-11.2%20-16.1%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m168.9%2071.3l-24.9%202.2%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m166.4%2067.8l-20.5%201.8%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m144%2073.5l-14.3%20-20.4%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m129.7%2053.1l-24.8%202.2%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m104.9%2055.3l-14.3%20-20.4%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m100.6%2055.7l-11.9%20-16.8%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m90.6%2034.9l-24.9%202.2%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m65.7%2037.1l-8.4%2018.3%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m68.2%2040.7l-7.6%2016.3%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m58.3%2064.1l11.2%2016%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m69.5%2080.1l24.9%20-2.2%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m71.4%2076.2l20.5%20-1.8%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-3%20atom-10%22%20d%3D%22m129.7%2053.1l10.5%20-22.6%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-3%20atom-10%22%20d%3D%22m134%2052.8l8.7%20-18.7%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m140.2%2030.5l21.4%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m168.1%2032.7l11.3%2016%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m178.5%2050.7l21.8%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m178.1%2047l21.9%20-2%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-12%20atom-1%22%20d%3D%22m179.4%2048.7l-10.5%2022.6%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-9%20atom-4%22%20d%3D%22m94.4%2077.9l10.5%20-22.6%22%2F%3E%3Cpath%20d%3D%22m145.3%2073.4l-1.3%200.1%20l-0.7%20-1%22%2F%3E%3Cpath%20d%3D%22m91.3%2036l-0.7%20-1.1%20l-1.3%200.1%22%2F%3E%3Cpath%20d%3D%22m67%2037l-1.3%200.1%20l-0.4%200.9%22%2F%3E%3Cpath%20d%3D%22m69%2079.3l0.5%200.8%20l1.3%20-0.1%22%2F%3E%3Cpath%20d%3D%22m93.1%2078.1l1.3%20-0.2%20l0.5%20-1.1%22%2F%3E%3Cpath%20d%3D%22m139.7%2031.7l0.5%20-1.2%20l1.1%20-0.1%22%2F%3E%3Cpath%20d%3D%22m178.8%2047.9l0.6%200.8%20l-0.5%201.2%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_52428d224c%22%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%20181.6%2088.2%20L%20183.9%2091.9%20Q%20184.2%2092.3%2C%20184.5%2093.0%20Q%20184.9%2093.7%2C%20184.9%2093.7%20L%20184.9%2088.2%20L%20185.9%2088.2%20L%20185.9%2095.3%20L%20184.9%2095.3%20L%20182.4%2091.2%20Q%20182.1%2090.7%2C%20181.8%2090.2%20Q%20181.5%2089.6%2C%20181.4%2089.4%20L%20181.4%2095.3%20L%20180.5%2095.3%20L%20180.5%2088.2%20L%20181.6%2088.2%20%22%2F%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%20187.2%2088.2%20L%20188.2%2088.2%20L%20188.2%2091.2%20L%20191.8%2091.2%20L%20191.8%2088.2%20L%20192.7%2088.2%20L%20192.7%2095.3%20L%20191.8%2095.3%20L%20191.8%2092.0%20L%20188.2%2092.0%20L%20188.2%2095.3%20L%20187.2%2095.3%20L%20187.2%2088.2%20%22%2F%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%20194.1%2095.0%20Q%20194.3%2094.6%2C%20194.7%2094.3%20Q%20195.1%2094.1%2C%20195.7%2094.1%20Q%20196.4%2094.1%2C%20196.8%2094.5%20Q%20197.2%2094.9%2C%20197.2%2095.5%20Q%20197.2%2096.2%2C%20196.7%2096.9%20Q%20196.2%2097.5%2C%20195.1%2098.3%20L%20197.3%2098.3%20L%20197.3%2098.8%20L%20194.1%2098.8%20L%20194.1%2098.4%20Q%20195.0%2097.7%2C%20195.5%2097.3%20Q%20196.0%2096.8%2C%20196.3%2096.4%20Q%20196.5%2096.0%2C%20196.5%2095.6%20Q%20196.5%2095.1%2C%20196.3%2094.9%20Q%20196.1%2094.6%2C%20195.7%2094.6%20Q%20195.3%2094.6%2C%20195.1%2094.8%20Q%20194.8%2094.9%2C%20194.6%2095.3%20L%20194.1%2095.0%20%22%2F%3E%3Cpath%20class%3D%22atom-7%22%20d%3D%22M%2053.7%2056.2%20L%2056.0%2060.0%20Q%2056.2%2060.3%2C%2056.6%2061.0%20Q%2056.9%2061.7%2C%2057.0%2061.7%20L%2057.0%2056.2%20L%2057.9%2056.2%20L%2057.9%2063.3%20L%2056.9%2063.3%20L%2054.5%2059.2%20Q%2054.2%2058.7%2C%2053.9%2058.2%20Q%2053.6%2057.6%2C%2053.5%2057.4%20L%2053.5%2063.3%20L%2052.5%2063.3%20L%2052.5%2056.2%20L%2053.7%2056.2%20%22%2F%3E%3Cpath%20class%3D%22atom-11%22%20d%3D%22M%20163.5%2024.8%20L%20165.8%2028.5%20Q%20166.0%2028.9%2C%20166.4%2029.6%20Q%20166.8%2030.2%2C%20166.8%2030.3%20L%20166.8%2024.8%20L%20167.7%2024.8%20L%20167.7%2031.9%20L%20166.8%2031.9%20L%20164.3%2027.8%20Q%20164.0%2027.3%2C%20163.7%2026.7%20Q%20163.4%2026.2%2C%20163.3%2026.0%20L%20163.3%2031.9%20L%20162.4%2031.9%20L%20162.4%2024.8%20L%20163.5%2024.8%20%22%2F%3E%3Cpath%20class%3D%22atom-11%22%20d%3D%22M%20169.1%2024.8%20L%20170.1%2024.8%20L%20170.1%2027.8%20L%20173.7%2027.8%20L%20173.7%2024.8%20L%20174.6%2024.8%20L%20174.6%2031.9%20L%20173.7%2031.9%20L%20173.7%2028.6%20L%20170.1%2028.6%20L%20170.1%2031.9%20L%20169.1%2031.9%20L%20169.1%2024.8%20%22%2F%3E%3Cpath%20class%3D%22atom-13%22%20d%3D%22M%20201.0%2046.6%20Q%20201.0%2044.9%2C%20201.8%2043.9%20Q%20202.6%2043.0%2C%20204.2%2043.0%20Q%20205.8%2043.0%2C%20206.6%2043.9%20Q%20207.5%2044.9%2C%20207.5%2046.6%20Q%20207.5%2048.3%2C%20206.6%2049.2%20Q%20205.8%2050.2%2C%20204.2%2050.2%20Q%20202.7%2050.2%2C%20201.8%2049.2%20Q%20201.0%2048.3%2C%20201.0%2046.6%20M%20204.2%2049.4%20Q%20205.3%2049.4%2C%20205.9%2048.7%20Q%20206.5%2048.0%2C%20206.5%2046.6%20Q%20206.5%2045.2%2C%20205.9%2044.5%20Q%20205.3%2043.8%2C%20204.2%2043.8%20Q%20203.1%2043.8%2C%20202.5%2044.5%20Q%20202.0%2045.2%2C%20202.0%2046.6%20Q%20202.0%2048.0%2C%20202.5%2048.7%20Q%20203.1%2049.4%2C%20204.2%2049.4%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_52428d224c%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B183.2%2C%2091.7%5D%2C%20%5B168.9%2C%2071.3%5D%2C%20%5B144.0%2C%2073.5%5D%2C%20%5B129.7%2C%2053.1%5D%2C%20%5B104.9%2C%2055.3%5D%2C%20%5B90.6%2C%2034.9%5D%2C%20%5B65.7%2C%2037.1%5D%2C%20%5B55.2%2C%2059.7%5D%2C%20%5B69.5%2C%2080.1%5D%2C%20%5B94.4%2C%2077.9%5D%2C%20%5B140.2%2C%2030.5%5D%2C%20%5B165.1%2C%2028.3%5D%2C%20%5B179.4%2C%2048.7%5D%2C%20%5B204.2%2C%2046.5%5D%5D%2C%20%26quot%3Bscale%26quot%3B%3A%2020%7D%3C%2Fscript%3E%3C%2Fsvg%3E)
%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}
