Substrate
/
Generation 1
XenoSite
Acetylferulic acid
COc1cc(C=CC(=O)O)ccc1OC(C)=O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC(=O)OC1=CC(=O)C(C=CC(=O)O)=CC1=O
Copy JSON
quinone formation · 0.01
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22210.0%22%20cy%3D%22130.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22131.3%22%20cy%3D%2294.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22116.8%22%20cy%3D%2273.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2291.9%22%20cy%3D%2276.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2281.4%22%20cy%3D%2298.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2277.4%22%20cy%3D%2255.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22231.0%22%20cy%3D%2285.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22241.5%22%20cy%3D%2262.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22266.4%22%20cy%3D%2260.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22227.0%22%20cy%3D%2242.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22191.6%22%20cy%3D%2267.0%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22170.7%22%20cy%3D%22112.5%22%20style%3D%22fill%3Argb(245%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22166.7%22%20cy%3D%2269.3%22%20style%3D%22fill%3Argb(232%2C241%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22156.2%22%20cy%3D%2292.0%22%20style%3D%22fill%3Argb(42%2C106%2C255)%22%2F%3E%3Ccircle%20r%3D%2210.1%22%20cx%3D%22195.6%22%20cy%3D%22110.2%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2210.1%22%20cx%3D%22206.1%22%20cy%3D%2287.5%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22195.6%22%20cy%3D%22110.2%22%20style%3D%22fill%3Argb(0%2C123%2C215)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22206.1%22%20cy%3D%2287.5%22%20style%3D%22fill%3Argb(0%2C125%2C212)%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_06c699c032%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_06c699c032%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_06c699c032%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_06c699c032%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m199.6%20153.4l8.4%20-18.2%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m206.9%20126.2l-11.3%20-16%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m195.6%20110.2l-24.9%202.3%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m193.1%20106.7l-20.6%201.9%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m170.7%20112.5l-14.5%20-20.5%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m156.2%2092l-24.9%202.3%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m131.3%2094.3l-14.5%20-20.4%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m133.1%2090.4l-13.2%20-18.7%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m116.8%2073.9l-24.9%202.3%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m90.6%2074.4l-8.9%2019.3%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m94%2076l-8.9%2019.3%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-7%20atom-9%22%20d%3D%22m91.9%2076.2l-11.3%20-16%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-4%20atom-10%22%20d%3D%22m156.2%2092l10.5%20-22.7%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-4%20atom-10%22%20d%3D%22m160.5%2091.7l8.7%20-18.9%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m166.7%2069.3l24.9%20-2.3%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m191.6%2067l14.5%2020.5%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m189.8%2071l12%2016.9%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m206.1%2087.5l20.8%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m233%2080.8l8.5%20-18.4%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m241.5%2062.4l24.9%20-2.3%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-14%20atom-16%22%20d%3D%22m243.7%2062.2l-11.9%20-16.8%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-14%20atom-16%22%20d%3D%22m240.6%2064.4l-11.9%20-16.8%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-12%20atom-2%22%20d%3D%22m206.1%2087.5l-10.5%2022.7%22%2F%3E%3Cpath%20d%3D%22m171.9%20112.4l-1.2%200.1%20l-0.8%20-1%22%2F%3E%3Cpath%20d%3D%22m132.5%2094.2l-1.2%200.1%20l-0.8%20-1%22%2F%3E%3Cpath%20d%3D%22m117.5%2074.9l-0.7%20-1%20l-1.2%200.1%22%2F%3E%3Cpath%20d%3D%22m93.1%2076.1l-1.2%200.1%20l-0.6%20-0.8%22%2F%3E%3Cpath%20d%3D%22m166.2%2070.4l0.5%20-1.1%20l1.2%20-0.1%22%2F%3E%3Cpath%20d%3D%22m190.4%2067.1l1.2%20-0.1%20l0.7%201%22%2F%3E%3Cpath%20d%3D%22m241.1%2063.4l0.4%20-1%20l1.2%20-0.1%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_06c699c032%22%3E%3Cpath%20class%3D%22atom-1%22%20d%3D%22M%20206.8%20130.7%20Q%20206.8%20129.0%2C%20207.6%20128.0%20Q%20208.5%20127.1%2C%20210.0%20127.1%20Q%20211.6%20127.1%2C%20212.5%20128.0%20Q%20213.3%20129.0%2C%20213.3%20130.7%20Q%20213.3%20132.4%2C%20212.4%20133.4%20Q%20211.6%20134.4%2C%20210.0%20134.4%20Q%20208.5%20134.4%2C%20207.6%20133.4%20Q%20206.8%20132.4%2C%20206.8%20130.7%20M%20210.0%20133.6%20Q%20211.1%20133.6%2C%20211.7%20132.8%20Q%20212.3%20132.1%2C%20212.3%20130.7%20Q%20212.3%20129.3%2C%20211.7%20128.6%20Q%20211.1%20127.9%2C%20210.0%20127.9%20Q%20209.0%20127.9%2C%20208.4%20128.6%20Q%20207.8%20129.3%2C%20207.8%20130.7%20Q%20207.8%20132.1%2C%20208.4%20132.8%20Q%20209.0%20133.6%2C%20210.0%20133.6%20%22%2F%3E%3Cpath%20class%3D%22atom-8%22%20d%3D%22M%2078.1%2098.9%20Q%2078.1%2097.2%2C%2079.0%2096.3%20Q%2079.8%2095.3%2C%2081.4%2095.3%20Q%2083.0%2095.3%2C%2083.8%2096.3%20Q%2084.6%2097.2%2C%2084.6%2098.9%20Q%2084.6%20100.7%2C%2083.8%20101.6%20Q%2082.9%20102.6%2C%2081.4%20102.6%20Q%2079.8%20102.6%2C%2079.0%20101.6%20Q%2078.1%20100.7%2C%2078.1%2098.9%20M%2081.4%20101.8%20Q%2082.5%20101.8%2C%2083.1%20101.1%20Q%2083.6%20100.4%2C%2083.6%2098.9%20Q%2083.6%2097.5%2C%2083.1%2096.8%20Q%2082.5%2096.1%2C%2081.4%2096.1%20Q%2080.3%2096.1%2C%2079.7%2096.8%20Q%2079.1%2097.5%2C%2079.1%2098.9%20Q%2079.1%20100.4%2C%2079.7%20101.1%20Q%2080.3%20101.8%2C%2081.4%20101.8%20%22%2F%3E%3Cpath%20class%3D%22atom-9%22%20d%3D%22M%2067.2%2052.2%20L%2068.1%2052.2%20L%2068.1%2055.2%20L%2071.8%2055.2%20L%2071.8%2052.2%20L%2072.7%2052.2%20L%2072.7%2059.3%20L%2071.8%2059.3%20L%2071.8%2056.0%20L%2068.1%2056.0%20L%2068.1%2059.3%20L%2067.2%2059.3%20L%2067.2%2052.2%20%22%2F%3E%3Cpath%20class%3D%22atom-9%22%20d%3D%22M%2074.2%2055.7%20Q%2074.2%2054.0%2C%2075.0%2053.1%20Q%2075.9%2052.1%2C%2077.4%2052.1%20Q%2079.0%2052.1%2C%2079.8%2053.1%20Q%2080.7%2054.0%2C%2080.7%2055.7%20Q%2080.7%2057.5%2C%2079.8%2058.5%20Q%2079.0%2059.4%2C%2077.4%2059.4%20Q%2075.9%2059.4%2C%2075.0%2058.5%20Q%2074.2%2057.5%2C%2074.2%2055.7%20M%2077.4%2058.6%20Q%2078.5%2058.6%2C%2079.1%2057.9%20Q%2079.7%2057.2%2C%2079.7%2055.7%20Q%2079.7%2054.4%2C%2079.1%2053.7%20Q%2078.5%2052.9%2C%2077.4%2052.9%20Q%2076.3%2052.9%2C%2075.8%2053.6%20Q%2075.2%2054.3%2C%2075.2%2055.7%20Q%2075.2%2057.2%2C%2075.8%2057.9%20Q%2076.3%2058.6%2C%2077.4%2058.6%20%22%2F%3E%3Cpath%20class%3D%22atom-13%22%20d%3D%22M%20227.8%2085.2%20Q%20227.8%2083.5%2C%20228.6%2082.5%20Q%20229.4%2081.6%2C%20231.0%2081.6%20Q%20232.6%2081.6%2C%20233.4%2082.5%20Q%20234.3%2083.5%2C%20234.3%2085.2%20Q%20234.3%2086.9%2C%20233.4%2087.9%20Q%20232.6%2088.9%2C%20231.0%2088.9%20Q%20229.4%2088.9%2C%20228.6%2087.9%20Q%20227.8%2086.9%2C%20227.8%2085.2%20M%20231.0%2088.1%20Q%20232.1%2088.1%2C%20232.7%2087.4%20Q%20233.3%2086.6%2C%20233.3%2085.2%20Q%20233.3%2083.8%2C%20232.7%2083.1%20Q%20232.1%2082.4%2C%20231.0%2082.4%20Q%20229.9%2082.4%2C%20229.3%2083.1%20Q%20228.8%2083.8%2C%20228.8%2085.2%20Q%20228.8%2086.6%2C%20229.3%2087.4%20Q%20229.9%2088.1%2C%20231.0%2088.1%20%22%2F%3E%3Cpath%20class%3D%22atom-16%22%20d%3D%22M%20223.8%2042.0%20Q%20223.8%2040.3%2C%20224.6%2039.4%20Q%20225.5%2038.4%2C%20227.0%2038.4%20Q%20228.6%2038.4%2C%20229.5%2039.4%20Q%20230.3%2040.3%2C%20230.3%2042.0%20Q%20230.3%2043.7%2C%20229.4%2044.7%20Q%20228.6%2045.7%2C%20227.0%2045.7%20Q%20225.5%2045.7%2C%20224.6%2044.7%20Q%20223.8%2043.7%2C%20223.8%2042.0%20M%20227.0%2044.9%20Q%20228.1%2044.9%2C%20228.7%2044.2%20Q%20229.3%2043.4%2C%20229.3%2042.0%20Q%20229.3%2040.6%2C%20228.7%2039.9%20Q%20228.1%2039.2%2C%20227.0%2039.2%20Q%20226.0%2039.2%2C%20225.4%2039.9%20Q%20224.8%2040.6%2C%20224.8%2042.0%20Q%20224.8%2043.4%2C%20225.4%2044.2%20Q%20226.0%2044.9%2C%20227.0%2044.9%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_06c699c032%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B199.6%2C%20153.4%5D%2C%20%5B210.0%2C%20130.7%5D%2C%20%5B195.6%2C%20110.2%5D%2C%20%5B170.7%2C%20112.5%5D%2C%20%5B156.2%2C%2092.0%5D%2C%20%5B131.3%2C%2094.3%5D%2C%20%5B116.8%2C%2073.9%5D%2C%20%5B91.9%2C%2076.2%5D%2C%20%5B81.4%2C%2098.9%5D%2C%20%5B77.4%2C%2055.7%5D%2C%20%5B166.7%2C%2069.3%5D%2C%20%5B191.6%2C%2067.0%5D%2C%20%5B206.1%2C%2087.5%5D%2C%20%5B231.0%2C%2085.2%5D%2C%20%5B241.5%2C%2062.4%5D%2C%20%5B266.4%2C%2060.1%5D%2C%20%5B227.0%2C%2042.0%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}
