Substrate
/
Generation 1
XenoSite
Belladine
COc1ccc(CCN(C)Cc2ccc(OC)c(OC)c2)cc1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
COC1=CC=C(CN(C)CCc2ccc(OC)cc2)C2OC12OC
Copy JSON
epoxidation · 0.03
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
%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%22135.7%22%20cy%3D%22110.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22342.4%22%20cy%3D%2281.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22135.3%22%20cy%3D%22131.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2299.0%22%20cy%3D%2266.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22361.0%22%20cy%3D%2292.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22267.5%22%20cy%3D%2280.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22192.5%22%20cy%3D%2278.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22211.9%22%20cy%3D%2246.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22211.5%22%20cy%3D%2268.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22230.4%22%20cy%3D%2257.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22248.9%22%20cy%3D%2269.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22174.0%22%20cy%3D%2267.7%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22173.6%22%20cy%3D%2289.3%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22155.5%22%20cy%3D%2256.5%22%20style%3D%22fill%3Argb(241%2C246%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22304.5%22%20cy%3D%22102.6%22%20style%3D%22fill%3Argb(234%2C242%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22305.4%22%20cy%3D%2259.4%22%20style%3D%22fill%3Argb(234%2C242%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22154.6%22%20cy%3D%2299.8%22%20style%3D%22fill%3Argb(231%2C240%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22136.5%22%20cy%3D%2266.9%22%20style%3D%22fill%3Argb(230%2C239%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22286.0%22%20cy%3D%2291.5%22%20style%3D%22fill%3Argb(230%2C239%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22286.4%22%20cy%3D%2269.8%22%20style%3D%22fill%3Argb(230%2C239%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22136.1%22%20cy%3D%2288.6%22%20style%3D%22fill%3Argb(218%2C232%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22323.5%22%20cy%3D%2292.2%22%20style%3D%22fill%3Argb(193%2C216%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22323.9%22%20cy%3D%2270.5%22%20style%3D%22fill%3Argb(193%2C216%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_df854ff3f7%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_df854ff3f7%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_df854ff3f7%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_df854ff3f7%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m367%20103.8l-9.6%20-17.3%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m350.9%2081.9l-20.9%20-0.4%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m330%2081.5l-13%2021.4%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m325.6%2081.4l-10.7%2017.7%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m317%20102.9l-24.9%20-0.5%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m292.1%20102.4l-12.1%20-21.9%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m294.3%2098.7l-10%20-18.1%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m280%2080.5l-25%20-0.5%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m255%2080l-12.1%20-21.8%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m242.9%2058.2l-21.5%20-0.5%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m215.5%2053.3l-9.7%20-17.5%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-8%20atom-10%22%20d%3D%22m215.3%2062l-10.3%2017.1%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m205%2079.1l-25%20-0.5%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m180%2078.6l-12.1%20-21.9%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m175.7%2078.5l-10%20-18.1%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m167.9%2056.7l-24.9%20-0.5%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m143%2056.2l-13%2021.4%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m145.1%2060l-10.7%2017.7%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m130%2077.6l-20.9%20-0.4%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-15%20atom-16%22%20d%3D%22m102.6%2072.8l-9.6%20-17.5%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-14%20atom-17%22%20d%3D%22m130%2077.6l12.1%2021.9%22%2F%3E%3Cpath%20class%3D%22bond-17%20atom-17%20atom-18%22%20d%3D%22m142.1%2099.5l-10.2%2017%22%2F%3E%3Cpath%20class%3D%22bond-18%20atom-18%20atom-19%22%20d%3D%22m131.7%20125.4l9.6%2017.4%22%2F%3E%3Cpath%20class%3D%22bond-19%20atom-17%20atom-20%22%20d%3D%22m142.1%2099.5l25%200.5%22%2F%3E%3Cpath%20class%3D%22bond-19%20atom-17%20atom-20%22%20d%3D%22m144.4%2095.8l20.6%200.4%22%2F%3E%3Cpath%20class%3D%22bond-20%20atom-5%20atom-21%22%20d%3D%22m280%2080.5l12.9%20-21.4%22%2F%3E%3Cpath%20class%3D%22bond-21%20atom-21%20atom-22%22%20d%3D%22m292.9%2059.1l25%200.5%22%2F%3E%3Cpath%20class%3D%22bond-21%20atom-21%20atom-22%22%20d%3D%22m295%2062.9l20.6%200.4%22%2F%3E%3Cpath%20class%3D%22bond-22%20atom-22%20atom-2%22%20d%3D%22m317.9%2059.6l12.1%2021.9%22%2F%3E%3Cpath%20class%3D%22bond-23%20atom-20%20atom-11%22%20d%3D%22m167.1%20100l12.9%20-21.4%22%2F%3E%3Cpath%20d%3D%22m317.7%20101.8l-0.7%201.1%20l-1.2%200%22%2F%3E%3Cpath%20d%3D%22m293.3%20102.4l-1.2%200%20l-0.7%20-1.1%22%2F%3E%3Cpath%20d%3D%22m256.2%2080.1l-1.2%20-0.1%20l-0.6%20-1.1%22%2F%3E%3Cpath%20d%3D%22m243.5%2059.3l-0.6%20-1.1%20l-1.1%20-0.1%22%2F%3E%3Cpath%20d%3D%22m205.5%2078.2l-0.5%200.9%20l-1.2%200%22%2F%3E%3Cpath%20d%3D%22m168.6%2057.8l-0.7%20-1.1%20l-1.2%200%22%2F%3E%3Cpath%20d%3D%22m144.2%2056.3l-1.2%20-0.1%20l-0.7%201.1%22%2F%3E%3Cpath%20d%3D%22m165.9%20100l1.2%200%20l0.7%20-1.1%22%2F%3E%3Cpath%20d%3D%22m292.2%2060.2l0.7%20-1.1%20l1.2%200%22%2F%3E%3Cpath%20d%3D%22m316.6%2059.6l1.3%200%20l0.6%201.1%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_df854ff3f7%22%3E%3Cpath%20class%3D%22atom-1%22%20d%3D%22M%20351.7%2082.0%20Q%20351.7%2080.3%2C%20352.5%2079.3%20Q%20353.4%2078.4%2C%20354.9%2078.4%20Q%20356.5%2078.4%2C%20357.3%2079.3%20Q%20358.2%2080.3%2C%20358.2%2082.0%20Q%20358.2%2083.7%2C%20357.3%2084.7%20Q%20356.5%2085.6%2C%20354.9%2085.6%20Q%20353.4%2085.6%2C%20352.5%2084.7%20Q%20351.7%2083.7%2C%20351.7%2082.0%20M%20354.9%2084.8%20Q%20356.0%2084.8%2C%20356.6%2084.1%20Q%20357.2%2083.4%2C%20357.2%2082.0%20Q%20357.2%2080.6%2C%20356.6%2079.9%20Q%20356.0%2079.2%2C%20354.9%2079.2%20Q%20353.9%2079.2%2C%20353.3%2079.9%20Q%20352.7%2080.6%2C%20352.7%2082.0%20Q%20352.7%2083.4%2C%20353.3%2084.1%20Q%20353.9%2084.8%2C%20354.9%2084.8%20%22%2F%3E%3Cpath%20class%3D%22atom-8%22%20d%3D%22M%20216.4%2054.1%20L%20218.7%2057.9%20Q%20218.9%2058.3%2C%20219.3%2058.9%20Q%20219.6%2059.6%2C%20219.7%2059.6%20L%20219.7%2054.1%20L%20220.6%2054.1%20L%20220.6%2061.2%20L%20219.6%2061.2%20L%20217.1%2057.1%20Q%20216.9%2056.6%2C%20216.5%2056.1%20Q%20216.2%2055.5%2C%20216.2%2055.4%20L%20216.2%2061.2%20L%20215.2%2061.2%20L%20215.2%2054.1%20L%20216.4%2054.1%20%22%2F%3E%3Cpath%20class%3D%22atom-15%22%20d%3D%22M%20101.8%2077.2%20Q%20101.8%2075.5%2C%20102.7%2074.5%20Q%20103.5%2073.6%2C%20105.1%2073.6%20Q%20106.6%2073.6%2C%20107.5%2074.5%20Q%20108.3%2075.5%2C%20108.3%2077.2%20Q%20108.3%2078.9%2C%20107.5%2079.9%20Q%20106.6%2080.8%2C%20105.1%2080.8%20Q%20103.5%2080.8%2C%20102.7%2079.9%20Q%20101.8%2078.9%2C%20101.8%2077.2%20M%20105.1%2080.1%20Q%20106.1%2080.1%2C%20106.7%2079.3%20Q%20107.3%2078.6%2C%20107.3%2077.2%20Q%20107.3%2075.8%2C%20106.7%2075.1%20Q%20106.1%2074.4%2C%20105.1%2074.4%20Q%20104.0%2074.4%2C%20103.4%2075.1%20Q%20102.8%2075.8%2C%20102.8%2077.2%20Q%20102.8%2078.6%2C%20103.4%2079.3%20Q%20104.0%2080.1%2C%20105.1%2080.1%20%22%2F%3E%3Cpath%20class%3D%22atom-18%22%20d%3D%22M%20126.0%20120.9%20Q%20126.0%20119.2%2C%20126.8%20118.3%20Q%20127.6%20117.3%2C%20129.2%20117.3%20Q%20130.8%20117.3%2C%20131.6%20118.3%20Q%20132.5%20119.2%2C%20132.5%20120.9%20Q%20132.5%20122.7%2C%20131.6%20123.6%20Q%20130.8%20124.6%2C%20129.2%20124.6%20Q%20127.7%20124.6%2C%20126.8%20123.6%20Q%20126.0%20122.7%2C%20126.0%20120.9%20M%20129.2%20123.8%20Q%20130.3%20123.8%2C%20130.9%20123.1%20Q%20131.5%20122.4%2C%20131.5%20120.9%20Q%20131.5%20119.6%2C%20130.9%20118.9%20Q%20130.3%20118.1%2C%20129.2%20118.1%20Q%20128.1%20118.1%2C%20127.5%20118.8%20Q%20127.0%20119.5%2C%20127.0%20120.9%20Q%20127.0%20122.4%2C%20127.5%20123.1%20Q%20128.1%20123.8%2C%20129.2%20123.8%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_df854ff3f7%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B367.0%2C%20103.8%5D%2C%20%5B354.9%2C%2082.0%5D%2C%20%5B330.0%2C%2081.5%5D%2C%20%5B317.0%2C%20102.9%5D%2C%20%5B292.1%2C%20102.4%5D%2C%20%5B280.0%2C%2080.5%5D%2C%20%5B255.0%2C%2080.0%5D%2C%20%5B242.9%2C%2058.2%5D%2C%20%5B217.9%2C%2057.7%5D%2C%20%5B205.8%2C%2035.8%5D%2C%20%5B205.0%2C%2079.1%5D%2C%20%5B180.0%2C%2078.6%5D%2C%20%5B167.9%2C%2056.7%5D%2C%20%5B143.0%2C%2056.2%5D%2C%20%5B130.0%2C%2077.6%5D%2C%20%5B105.1%2C%2077.2%5D%2C%20%5B93.0%2C%2055.3%5D%2C%20%5B142.1%2C%2099.5%5D%2C%20%5B129.2%2C%20120.9%5D%2C%20%5B141.3%2C%20142.8%5D%2C%20%5B167.1%2C%20100.0%5D%2C%20%5B292.9%2C%2059.1%5D%2C%20%5B317.9%2C%2059.6%5D%5D%2C%20%26quot%3Bscale%26quot%3B%3A%2020%7D%3C%2Fscript%3E%3C%2Fsvg%3E)
