Ketcher 10182111342D 1 1.00000 0.00000 0 31 35 0 1 0 999 V2000 12.7994 -7.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8024 -8.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9311 -6.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6643 -6.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6644 -8.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9339 -8.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0660 -7.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9281 -5.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5265 -7.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5298 -8.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6643 -9.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0656 -8.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1977 -6.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0598 -5.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3952 -6.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3981 -8.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1945 -5.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2636 -7.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2631 -8.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4010 -9.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1948 -5.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6925 -5.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1315 -8.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2693 -10.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1344 -9.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2689 -11.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0027 -10.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1372 -11.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8681 -9.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5331 -6.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5327 -9.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 5 11 2 0 0 0 6 12 2 0 0 0 7 13 1 0 0 0 8 14 2 0 0 0 9 15 1 0 0 0 10 16 1 0 0 0 13 17 1 0 0 0 15 18 1 0 0 0 16 19 2 0 0 0 16 20 1 0 0 0 17 21 1 0 0 0 17 22 1 0 0 0 19 23 1 0 0 0 20 24 2 0 0 0 23 25 2 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 7 12 1 0 0 0 9 10 1 0 0 0 14 17 1 0 0 0 18 19 1 0 0 0 24 25 1 0 0 0 9 30 1 1 0 0 10 31 1 1 0 0 M END > CHEBI:4357 > deguelin > A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers. > 3 > (7aS,13aS)-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-pyrano[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-7(7aH)-one; (7aS,13aS)-13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one; (-)-deguelin; (-)-cis-deguelin > (7aS,13aS)-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one > C23H22O6 > 394.423 > 394.14164 > 0 > [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=C(O2)C2=C(OC(C)(C)C=C2)C=C1 > InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1 > ORDAZKGHSNRHTD-UXHICEINSA-N > 522-17-8 > 522-17-8 > C10417 > C00002522 > LSM-3368 > LMPK12060019 > CPD-12163 > Deguelin > 27771933; 28471807; 29157837; 30018008; 30078209; 30255595; 30405048; 30588113; 30741976; 30765727; 30933320; 31211467; 31504284; 31584382; 31917237; 32081857; 32128091; 32454059; 32540381; 33581287; 33724011; 34626304; 34644595; 9270008 $$$$