Marvin 04231309312D 34 35 0 0 0 0 999 V2000 2.8027 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 0.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 1.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 1.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9429 1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6589 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3718 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0878 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8008 1.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5168 1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2297 1.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9457 1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6586 1.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3746 1.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0875 1.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8036 1.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5165 1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2325 1.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9454 1.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6614 1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3687 2.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2266 2.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0844 2.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9423 2.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 1.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2328 0.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5193 0.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6885 -0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5067 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 0.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 -1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3285 -1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 -1.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 16 17 1 0 0 0 0 7 8 1 0 0 0 0 17 18 1 0 0 0 0 3 4 2 0 0 0 0 18 19 2 0 0 0 0 8 9 1 0 0 0 0 19 20 1 0 0 0 0 4 1 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 11 22 1 0 0 0 0 2 27 1 0 0 0 0 15 23 1 0 0 0 0 10 11 2 0 0 0 0 19 24 1 0 0 0 0 3 5 1 0 0 0 0 1 25 1 0 0 0 0 26 27 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 5 6 1 0 0 0 0 13 14 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 26 1 0 0 0 0 26 3 1 0 0 0 0 29 31 2 0 0 0 0 14 15 2 0 0 0 0 28 32 2 0 0 0 0 6 7 2 0 0 0 0 32 33 1 0 0 0 0 15 16 1 0 0 0 0 32 34 1 0 0 0 0 M END > CHEBI:66306 > rhuscholide A > A member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a hydroxy group at position 5, a propan-2-ylidene group at position 3 and a (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl group at position 7. Isolated from Rhus chinensis, it exhibits anti-HIV activity. > 3 > 5-hydroxy-3-(propan-2-ylidene)-7-[3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-2(3H)-benzofuranone > 5-hydroxy-3-(propan-2-ylidene)-7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-1-benzofuran-2(3H)-one > C31H42O3 > 462.66340 > 462.31340 > 0 > CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc2c1OC(=O)C2=C(C)C > InChI=1S/C31H42O3/c1-21(2)11-8-12-23(5)13-9-14-24(6)15-10-16-25(7)17-18-26-19-27(32)20-28-29(22(3)4)31(33)34-30(26)28/h11,13,15,17,19-20,32H,8-10,12,14,16,18H2,1-7H3/b23-13+,24-15+,25-17+ > LPJLAXYRFCLYIG-HBKYZHKXSA-N > 11183086 > 17290322 $$$$