Substrate
/
Generation 1
XenoSite
Acetylated coniferyl alcohol
COc1cc(C=CCOC(C)=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
An oxidized polyvinyl alcohol
CC=O
CHEBI
Copy JSON
Description
▾
quinone formation · 0.31
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22260.4%22%20cy%3D%22133.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22177.2%22%20cy%3D%22108.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22160.1%22%20cy%3D%2289.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22135.6%22%20cy%3D%2295.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22118.5%22%20cy%3D%2277.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2294.0%22%20cy%3D%2282.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2276.9%22%20cy%3D%2264.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2286.7%22%20cy%3D%22106.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22275.0%22%20cy%3D%2285.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22282.3%22%20cy%3D%2261.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22306.7%22%20cy%3D%2255.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22265.1%22%20cy%3D%2243.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22233.4%22%20cy%3D%2272.7%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22218.8%22%20cy%3D%22120.8%22%20style%3D%22fill%3Argb(242%2C247%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22209.0%22%20cy%3D%2278.4%22%20style%3D%22fill%3Argb(236%2C243%2C255)%22%2F%3E%3Ccircle%20r%3D%229.5%22%20cx%3D%22201.7%22%20cy%3D%22102.4%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2211.6%22%20cx%3D%22250.6%22%20cy%3D%2291.0%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2211.7%22%20cx%3D%22243.3%22%20cy%3D%22115.1%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22201.7%22%20cy%3D%22102.4%22%20style%3D%22fill%3Argb(0%2C105%2C237)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22250.6%22%20cy%3D%2291.0%22%20style%3D%22fill%3Argb(0%2C167%2C136)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22243.3%22%20cy%3D%22115.1%22%20style%3D%22fill%3Argb(0%2C170%2C131)%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_0a85bd321c%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_0a85bd321c%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_0a85bd321c%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_0a85bd321c%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m253.1%20157.4l6%20-19.5%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m256.3%20129l-13%20-13.9%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m243.3%20115.1l-24.5%205.7%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m240.3%20111.9l-20.2%204.7%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m218.8%20120.8l-17.1%20-18.4%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m201.7%20102.4l-24.5%205.7%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m177.2%20108.1l-17.1%20-18.3%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m178.5%20104l-15.7%20-16.8%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m160.1%2089.8l-24.5%205.7%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m135.6%2095.5l-13.1%20-14%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m114.4%2078.1l-20.4%204.8%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m94%2082.9l-17.1%20-18.4%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-9%20atom-11%22%20d%3D%22m92.5%2081.3l-6.2%2020.6%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-9%20atom-11%22%20d%3D%22m96.1%2082.4l-6.2%2020.6%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-4%20atom-12%22%20d%3D%22m201.7%20102.4l7.3%20-24%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-4%20atom-12%22%20d%3D%22m205.9%20101.4l6%20-19.8%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m209%2078.4l24.4%20-5.7%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m233.4%2072.7l17.2%2018.3%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m232.1%2076.9l14.2%2015.1%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m250.6%2091l20.3%20-4.7%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-15%20atom-16%22%20d%3D%22m276.4%2080.9l5.9%20-19.6%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-16%20atom-17%22%20d%3D%22m282.3%2061.3l24.4%20-5.7%22%2F%3E%3Cpath%20class%3D%22bond-17%20atom-16%20atom-18%22%20d%3D%22m284.4%2060.8l-13.8%20-14.7%22%2F%3E%3Cpath%20class%3D%22bond-17%20atom-16%20atom-18%22%20d%3D%22m281.7%2063.4l-13.8%20-14.7%22%2F%3E%3Cpath%20class%3D%22bond-18%20atom-14%20atom-2%22%20d%3D%22m250.6%2091l-7.3%2024.1%22%2F%3E%3Cpath%20d%3D%22m220%20120.5l-1.2%200.3%20l-0.8%20-1%22%2F%3E%3Cpath%20d%3D%22m178.4%20107.8l-1.2%200.3%20l-0.8%20-0.9%22%2F%3E%3Cpath%20d%3D%22m160.9%2090.7l-0.8%20-0.9%20l-1.3%200.3%22%2F%3E%3Cpath%20d%3D%22m136.8%2095.2l-1.2%200.3%20l-0.6%20-0.7%22%2F%3E%3Cpath%20d%3D%22m95%2082.6l-1%200.3%20l-0.8%20-0.9%22%2F%3E%3Cpath%20d%3D%22m208.6%2079.6l0.4%20-1.2%20l1.2%20-0.3%22%2F%3E%3Cpath%20d%3D%22m232.2%2073l1.2%20-0.3%20l0.9%200.9%22%2F%3E%3Cpath%20d%3D%22m282%2062.3l0.3%20-1%20l1.2%20-0.3%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_0a85bd321c%22%3E%3Cpath%20class%3D%22atom-1%22%20d%3D%22M%20257.2%20133.4%20Q%20257.2%20131.7%2C%20258.0%20130.7%20Q%20258.9%20129.8%2C%20260.4%20129.8%20Q%20262.0%20129.8%2C%20262.8%20130.7%20Q%20263.7%20131.7%2C%20263.7%20133.4%20Q%20263.7%20135.1%2C%20262.8%20136.1%20Q%20262.0%20137.1%2C%20260.4%20137.1%20Q%20258.9%20137.1%2C%20258.0%20136.1%20Q%20257.2%20135.1%2C%20257.2%20133.4%20M%20260.4%20136.3%20Q%20261.5%20136.3%2C%20262.1%20135.6%20Q%20262.7%20134.8%2C%20262.7%20133.4%20Q%20262.7%20132.0%2C%20262.1%20131.3%20Q%20261.5%20130.6%2C%20260.4%20130.6%20Q%20259.3%20130.6%2C%20258.8%20131.3%20Q%20258.2%20132.0%2C%20258.2%20133.4%20Q%20258.2%20134.8%2C%20258.8%20135.6%20Q%20259.3%20136.3%2C%20260.4%20136.3%20%22%2F%3E%3Cpath%20class%3D%22atom-8%22%20d%3D%22M%20115.2%2077.2%20Q%20115.2%2075.5%2C%20116.0%2074.5%20Q%20116.9%2073.6%2C%20118.5%2073.6%20Q%20120.0%2073.6%2C%20120.9%2074.5%20Q%20121.7%2075.5%2C%20121.7%2077.2%20Q%20121.7%2078.9%2C%20120.9%2079.9%20Q%20120.0%2080.9%2C%20118.5%2080.9%20Q%20116.9%2080.9%2C%20116.0%2079.9%20Q%20115.2%2078.9%2C%20115.2%2077.2%20M%20118.5%2080.1%20Q%20119.5%2080.1%2C%20120.1%2079.4%20Q%20120.7%2078.6%2C%20120.7%2077.2%20Q%20120.7%2075.8%2C%20120.1%2075.1%20Q%20119.5%2074.4%2C%20118.5%2074.4%20Q%20117.4%2074.4%2C%20116.8%2075.1%20Q%20116.2%2075.8%2C%20116.2%2077.2%20Q%20116.2%2078.6%2C%20116.8%2079.4%20Q%20117.4%2080.1%2C%20118.5%2080.1%20%22%2F%3E%3Cpath%20class%3D%22atom-11%22%20d%3D%22M%2083.5%20106.9%20Q%2083.5%20105.2%2C%2084.3%20104.2%20Q%2085.1%20103.3%2C%2086.7%20103.3%20Q%2088.3%20103.3%2C%2089.1%20104.2%20Q%2090.0%20105.2%2C%2090.0%20106.9%20Q%2090.0%20108.6%2C%2089.1%20109.6%20Q%2088.3%20110.6%2C%2086.7%20110.6%20Q%2085.2%20110.6%2C%2084.3%20109.6%20Q%2083.5%20108.6%2C%2083.5%20106.9%20M%2086.7%20109.8%20Q%2087.8%20109.8%2C%2088.4%20109.1%20Q%2089.0%20108.3%2C%2089.0%20106.9%20Q%2089.0%20105.5%2C%2088.4%20104.8%20Q%2087.8%20104.1%2C%2086.7%20104.1%20Q%2085.6%20104.1%2C%2085.0%20104.8%20Q%2084.5%20105.5%2C%2084.5%20106.9%20Q%2084.5%20108.3%2C%2085.0%20109.1%20Q%2085.6%20109.8%2C%2086.7%20109.8%20%22%2F%3E%3Cpath%20class%3D%22atom-15%22%20d%3D%22M%20271.7%2085.4%20Q%20271.7%2083.7%2C%20272.6%2082.7%20Q%20273.4%2081.7%2C%20275.0%2081.7%20Q%20276.6%2081.7%2C%20277.4%2082.7%20Q%20278.3%2083.7%2C%20278.3%2085.4%20Q%20278.3%2087.1%2C%20277.4%2088.1%20Q%20276.6%2089.0%2C%20275.0%2089.0%20Q%20273.4%2089.0%2C%20272.6%2088.1%20Q%20271.7%2087.1%2C%20271.7%2085.4%20M%20275.0%2088.2%20Q%20276.1%2088.2%2C%20276.7%2087.5%20Q%20277.3%2086.8%2C%20277.3%2085.4%20Q%20277.3%2084.0%2C%20276.7%2083.3%20Q%20276.1%2082.5%2C%20275.0%2082.5%20Q%20273.9%2082.5%2C%20273.3%2083.3%20Q%20272.7%2084.0%2C%20272.7%2085.4%20Q%20272.7%2086.8%2C%20273.3%2087.5%20Q%20273.9%2088.2%2C%20275.0%2088.2%20%22%2F%3E%3Cpath%20class%3D%22atom-18%22%20d%3D%22M%20261.9%2043.0%20Q%20261.9%2041.3%2C%20262.7%2040.4%20Q%20263.6%2039.4%2C%20265.1%2039.4%20Q%20266.7%2039.4%2C%20267.6%2040.4%20Q%20268.4%2041.3%2C%20268.4%2043.0%20Q%20268.4%2044.7%2C%20267.6%2045.7%20Q%20266.7%2046.7%2C%20265.1%2046.7%20Q%20263.6%2046.7%2C%20262.7%2045.7%20Q%20261.9%2044.8%2C%20261.9%2043.0%20M%20265.1%2045.9%20Q%20266.2%2045.9%2C%20266.8%2045.2%20Q%20267.4%2044.4%2C%20267.4%2043.0%20Q%20267.4%2041.6%2C%20266.8%2040.9%20Q%20266.2%2040.2%2C%20265.1%2040.2%20Q%20264.1%2040.2%2C%20263.5%2040.9%20Q%20262.9%2041.6%2C%20262.9%2043.0%20Q%20262.9%2044.5%2C%20263.5%2045.2%20Q%20264.1%2045.9%2C%20265.1%2045.9%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_0a85bd321c%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B253.1%2C%20157.4%5D%2C%20%5B260.4%2C%20133.4%5D%2C%20%5B243.3%2C%20115.1%5D%2C%20%5B218.8%2C%20120.8%5D%2C%20%5B201.7%2C%20102.4%5D%2C%20%5B177.2%2C%20108.1%5D%2C%20%5B160.1%2C%2089.8%5D%2C%20%5B135.6%2C%2095.5%5D%2C%20%5B118.5%2C%2077.2%5D%2C%20%5B94.0%2C%2082.9%5D%2C%20%5B76.9%2C%2064.5%5D%2C%20%5B86.7%2C%20106.9%5D%2C%20%5B209.0%2C%2078.4%5D%2C%20%5B233.4%2C%2072.7%5D%2C%20%5B250.6%2C%2091.0%5D%2C%20%5B275.0%2C%2085.3%5D%2C%20%5B282.3%2C%2061.3%5D%2C%20%5B306.7%2C%2055.6%5D%2C%20%5B265.1%2C%2043.0%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}