Marvin 01141311012D 31 34 0 0 0 0 999 V2000 1.8111 -20.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8099 -21.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 -21.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 -19.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2383 -20.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -21.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9569 -21.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6733 -21.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6699 -20.3321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9501 -19.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 -22.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3831 -19.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0979 -20.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 -19.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 -19.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0877 -18.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8138 -19.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4279 -18.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0813 -17.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2530 -17.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5253 -22.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 -22.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 -19.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3821 -20.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5205 -19.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8048 -18.6935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8023 -17.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -19.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5155 -17.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 -17.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2533 -20.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 17 2 0 0 0 0 1 2 2 0 0 0 0 16 15 2 0 0 0 0 15 12 1 0 0 0 0 16 17 1 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 16 1 0 0 0 0 8 9 1 0 0 0 0 3 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 1 0 0 0 0 5 6 1 0 0 0 0 1 23 1 0 0 0 0 7 11 2 0 0 0 0 23 24 1 0 0 0 0 4 25 1 0 0 0 0 9 12 1 0 0 0 0 25 26 1 0 0 0 0 2 3 1 0 0 0 0 26 27 1 0 0 0 0 12 13 2 0 0 0 0 26 28 1 6 0 0 0 3 6 2 0 0 0 0 27 29 2 0 0 0 0 13 14 1 0 0 0 0 27 30 1 0 0 0 0 9 31 1 1 0 0 0 M END > CHEBI:65796 > (2S)-5,7-dimethoxy-8-(2S-hydroxy-3-methyl-3-butenyl)-3',4'-methylenedioxyflavanone > An extended flavonoid that is 3',4'-methylenedioxyflavanone substituted by methoxy groups at positions 5 and 7 and a 2-hydroxy-3-methyl-3-butenyl moiety at position 8 (the 2S stereoisomer). Isolated from the stem barks of Pongamia pinnata, it acts as a an inducer of quinone reductase, a phase II enzyme that protects cells against reactive, toxic and potentially carcinogenic species. > 3 > (2S)-2-(1,3-benzodioxol-5-yl)-8-[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one > C23H24O7 > 412.43250 > 412.15220 > 0 > [H][C@]1(CC(=O)c2c(OC)cc(OC)c(C[C@H](O)C(C)=C)c2O1)c1ccc2OCOc2c1 > InChI=1S/C23H24O7/c1-12(2)15(24)8-14-19(26-3)10-21(27-4)22-16(25)9-18(30-23(14)22)13-5-6-17-20(7-13)29-11-28-17/h5-7,10,15,18,24H,1,8-9,11H2,2-4H3/t15-,18-/m0/s1 > HEQLSVWMTJXPGS-YJBOKZPZSA-N > 9813791 > 14510596 $$$$