SANC00903 Piperitone




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-044-754-147 1 COc1cc2oc(=O)ccc2c(OC)c1CC=C(C)C
MolPort-044-754-147 1 COc1cc2oc(=O)ccc2c(OC)c1CC=C(C)C
MCULE-9290289108 1 C1(C)C(=O)C=CC(C(C)C)C1
MCULE-9392368882 1 C1=CC(CCC1(CCC)CCC)=O
MCULE-9551990259 1 CC1=CC(=O)CC(CC)C1
MCULE-1887138472 1 O=C1C(C)C(CC)C(C)C(CC)=C1
MCULE-7174333293 1 C1C(C[C@@H](CC=1C)CCC)=O
MCULE-9861301536 1 C1C(CC(CC=1C)CCC)=O
MCULE-1048579708 0.97 C12(C)CCCC(C)(C)C1=CC(=O)CC2
MCULE-8599123114 0.97 C12(C)CCCCC1=C(C)C(=O)CC2
MCULE-5564101474 0.97 C1C(CC(CC=1C)(C)C)=O
MCULE-1925425954 0.97 C12CCCCC1CCC(=O)C=2
MCULE-1342617339 0.97 C1CC2C3CCCCC3=CC(=O)C2CC1
MCULE-5881773205 0.97 CC1CC(CC2CC=CCC2)=CC(=O)C1
MCULE-1319324374 0.97 CC1CC=C(C(CC2CC=CC2)=O)CC1
MCULE-8149754044 0.97 C(C1=CC(C)CCC1)=O
MCULE-8950557153 0.97 C1(C)(C)[C@@H]2C[C@H]1C(=CC2=O)C
MCULE-5631441050 0.97 C12CCCCC1(C)CCC(=O)C=2
MCULE-3343421278 0.97 O=C1C=C(CC2CC=CCC2)CCC1
MCULE-3614421214 0.97 C1(C=O)=C(C)CCC(C(C)C)C1=O
MCULE-1064684832 0.97 C1(CCCC)C(=O)CC(C)(C)CC=1C
MCULE-7819289735 0.97 C1(CCCC(C)=C1C=O)(C)C
MCULE-4391727742 0.97 C1C(CC(CC=1C)C)=O
MCULE-7781678672 0.97 C12CCCCC1C(CC(=O)C=2)C(C)C
MCULE-1142475318 0.97 C1(C)(C)C2CC1C(=CC2=O)C
MCULE-3926742898 0.97 O=C1C=CC2(CCCCC2)CC1
MolPort-005-944-812 0.95 COc1cc2oc(=O)ccc2cc1CC=C(C)C
MCULE-1068654284 0.94 CC(C(C1CCCCC=1)=O)C1CCC1
MCULE-3386101177 0.94 [C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)/C=C/C(CC)C(C)C
MCULE-3526435182 0.94 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
MCULE-3893717167 0.94 [C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
MCULE-8220979425 0.94 CC1CC(CC/C=C(\C)/C)=CC(=O)C1
MCULE-2358765585 0.94 O=C1CCCC2C(C(C(C)(C)C1=2)C)(C)C
MCULE-4324141268 0.94 [C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
MCULE-9637050612 0.94 O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
MCULE-3125023758 0.94 C1C[C@]2(C)[C@@]3([H])CC[C@@]4([C@@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O)C
MCULE-6041020600 0.94 C12C(=O)C=CC(C1)CC2
MCULE-9661302470 0.94 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
MCULE-9795083418 0.94 O=C1CC[C@@]2([C@]3(CC[C@@]4(/C(=C/C)/C(=O)C[C@@]4([H])[C@]3([H])CCC2=C1)C)[H])C
MCULE-8841120984 0.94 CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C)C
MCULE-3394759576 0.94 C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
MCULE-1428417742 0.94 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
MCULE-4303966960 0.94 C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
MCULE-9977163649 0.94 O=C1CC(C)(C)CC(C=O)=C1
MCULE-8690639813 0.94 [C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
MCULE-8417547529 0.94 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
MCULE-3132312011 0.94 O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H]
MCULE-1903986936 0.94 CC(C1C(C(C2CCCCC=2)=O)C1)(C)C
MCULE-4612727757 0.94 C1[C@@H]2C([C@H]1CC=C2C=O)(C)C
MCULE-2014220888 0.94 O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
MCULE-6569061785 0.94 C1C2C(C1CC=C2C=O)(C)C
MCULE-7380885765 0.94 O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
MCULE-3175746942 0.94 C12(C)C(=O)C=CC(CC1)C2(C)C
MCULE-2750952157 0.94 O=C(C1CCCCC=1)C1C(C2CC2)C1
MCULE-7999733772 0.94 C1CCCCCC2C(C)(C)CC(=O)C2=CCCC1
MCULE-9894286158 0.94 O=C(C1CCCCC=1)C1CC2(CCC2)C1
MCULE-8519555544 0.94 C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
MCULE-1327216619 0.94 CC1(CC(CC2CC=CC2)=CC(=O)C1)C
MCULE-5924936253 0.94 CC1CC(C(C2CCCCC=2)=O)C1
MCULE-7132823730 0.94 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
MCULE-7700432494 0.94 O=C(C1CCCCC=1)C1C2(CC2)C1
MCULE-4900297288 0.94 CC1CC(CC2CC=CC2)=CC(=O)C1
MCULE-3425686308 0.94 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-5238788396 0.94 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-8108304567 0.94 C/C(/C)=C/CCC1CC(C)(C)CC(=O)C=1
MCULE-7384114075 0.94 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
MCULE-1578387226 0.94 O=C(C1CCCC=1)CC1CC=CC1
MCULE-8902385122 0.94 [C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-6538426298 0.94 O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
MCULE-6738536824 0.94 O=C1C(C)=C2C(CCCC2(C)CC1)=O
MCULE-6849313207 0.93 CC1CCCC(=O)C=1
MCULE-3433190262 0.93 C1(CCCCCCCCCCC=1)C(C)=O
MCULE-9958324589 0.93 C1CCCC=C1C(=O)C
MCULE-9285433930 0.93 C1(CCCCC=1)C(CC)=O
MCULE-5034253909 0.93 C(C(C)C)(=O)C1CCCCC=1
MCULE-7375388626 0.93 C1(CCCCC=1)C(CCC)=O
MCULE-2644888783 0.93 C(=O)(CC(C)C)C1CCCCC=1
MCULE-9444397237 0.93 C1CCC(=O)C=CCCC1
MCULE-3035020921 0.93 C1CCCCC=C(C=O)C1
MCULE-2318177037 0.91 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC(=O)C2=CC1=O
MCULE-8099197121 0.91 C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MCULE-6135208734 0.91 CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
MCULE-7051793102 0.91 C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
MCULE-9382333306 0.91 C1(C)(C)CC(=O)C2=C(C)CCC12
MCULE-1638755617 0.91 O=C(C)C1C(C=C(C)CC1)=O
MCULE-8192482534 0.91 O=C1C=CC2(C)C(C1)CC=CC2
MCULE-9790788139 0.91 O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCC=C21
MCULE-7083384019 0.91 CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
MCULE-7241385729 0.91 C1(=O)C=C(C)CC(C)(C)C1C(C)=O
MCULE-5531656338 0.91 CC1C(=O)C(C)(C)CC(=O)C=1
MCULE-9740579162 0.91 C1(C(C)=O)CC(=O)C(C)=CC1
MCULE-1235419293 0.91 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
MCULE-3650003593 0.91 O=C1C=C(CC2CC=CCC2)CCCC1
MCULE-2344630269 0.91 C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
MCULE-2123440957 0.91 CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1
MCULE-5384019764 0.91 C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C
MCULE-8706542409 0.91 C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2
MCULE-8255659287 0.91 C1(=O)CCC(CC=C)(C)C=C1
MCULE-7535047148 0.91 CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
MCULE-8414068028 0.90 C1(CCCCCC=1)C=O
MCULE-9704056914 0.90 O=C(C1CCCCCCC=1)C1C2(CC2)C1
MCULE-6370581589 0.90 CC=CC(CC1C2C=CC(CC2)C1)=O
MCULE-5466118884 0.90 C1C(CCCCC=1C)=O
MCULE-5281461360 0.90 C1(=O)C=CCCCC1
MCULE-3774162320 0.90 C1(=O)CC(C)(C)CC=C1
MCULE-5124770449 0.90 C1(=O)CCC(C)(C)C=C1
MCULE-6245248136 0.90 C1(C)=CCCCC1=O
MCULE-7619150531 0.90 CCCCC/C=C(\C=O)/CCCC
MCULE-7594121913 0.90 C1(CCCCC1=O)=CCCCCCC
MCULE-9092365556 0.90 C(=O)C(CCCC)=CCCCCC
MCULE-5575338469 0.90 C/C(/C)=C/C(CC1C2C=CC(CC2)C1)=O
MCULE-2243940623 0.90 C1CC2CC2CCC(=O)C=1
MCULE-4948873814 0.90 C1(CCCCC1=O)=CC(CCCC)CC
MCULE-1811364024 0.90 C1(C)(C)C(=O)C=CCC1
MCULE-4195941884 0.90 CC(C1(C(C2CCCCC=2)=O)CC1)C
MCULE-4187355503 0.90 CC1CC(C(C2CCCCCCC=2)=O)C1
MCULE-8040115902 0.90 C(C)(C)(C)C1CC(=C2CCC(CC2)C(C)(C)C)C(CC1)=O
MCULE-5102413219 0.88 O=C(C1CCCCCC=1)C1C2(CC2)C1
MCULE-6481056517 0.88 CC(C(C1CCCC=1)=O)C1CCC1
MCULE-6989137991 0.88 C1C(=O)CCC2([H])CC2([H])C=1
MCULE-2011218266 0.88 CC(C(C1CCCCCC=1)=O)C1CCC1
MCULE-2160116138 0.88 O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1
MCULE-5119094209 0.88 O=C(C12CCCC1C2)C1CCCCC=1
MCULE-6661177248 0.88 CC1CC(C(C2CCCCCC=2)=O)C1
MCULE-2280015640 0.88 C(C)(=C)[C@@]1([H])CCC(=CC1)C=O
MCULE-2913420738 0.88 C(C)(=C)C1([H])CCC(=CC1)C=O
MCULE-1177617044 0.88 C1(=O)CC23CC2(CCC3)C=C1
MCULE-4876387221 0.88 O=C(C1CCCCC=1)CC1CC2C(C2)C1
MCULE-8226891771 0.88 CC(C1(C(C2CCCCCC=2)=O)CC1)C
MCULE-7695357226 0.88 O=C(C1CCCC=1)C1CC2(CCC2)C1
MCULE-6739386631 0.88 O=C(C1CCCCC=1)C1CC2C(C2)CC1
MCULE-1776810440 0.88 C=C(C)[C@H]1CCC(C=O)=CC1
MCULE-2850571893 0.88 O=C(C1CCCCCC=1)C1C(C2CC2)C1
MCULE-1731235356 0.88 O=C(C1CCCCC=1)C1C2C(C2)CCC1
MCULE-4005939250 0.88 C12(C)CCC3C(CCC4CCCCC34C)C1CC(=CC(C)C)C2=O
MCULE-4785640334 0.88 CC1CC(C(C2CCCC=2)=O)C1
MCULE-8800846446 0.88 CC(C1C(C(C2CCCC=2)=O)C1)(C)C
MCULE-4387476121 0.88 C1C2CC=C(C)C(=O)C1C2(C)C
MCULE-3936888193 0.88 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC1CC(C)=C(C)CC21C(C)=O
MCULE-2587582031 0.88 O=C1CCC2(C)C3CC(C4(C)C(CC(C4C3CCC2=C1)=O)C(C)=O)=O
MCULE-6340945460 0.88 O=C(C12CCCCC1C2)C1CCCCC=1
MCULE-6302987664 0.88 O=C(C1CCCC=1)C1C(C2CC2)C1
MCULE-2807643168 0.88 C1(C)CC(=O)C=C1CCCCC
MCULE-6881426714 0.87 O=C1CCCCC1=CCCCC
MCULE-5212919737 0.87 CC(C(CC1C2C=CC(CC2)C1)=O)=C
MCULE-7859787767 0.87 CC(C(CC1CC=CCC1)=O)(C)C
MCULE-5040560976 0.87 O=C1C(=CC(CC)CC)CCCC1
MCULE-2588670002 0.87 C1(CCCC=1)C(CCC)=O
MCULE-5676927364 0.87 C(=O)(CC(C)C)C1CCCC=1
MCULE-8714614317 0.87 C=CC(CC1C2C=CC(CC2)C1)=O
MCULE-4428185983 0.87 C1(CCCCC1=O)=CCC(C)C
MolPort-039-339-022 0.86 COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12
MolPort-039-339-022 0.86 COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12
MCULE-5461214891 0.86 [C@]12([H])C(=O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)C
MCULE-4315440442 0.86 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](/C=C/[C@@H](CC)C(=C)C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-6238783971 0.86 [C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
MCULE-7455827757 0.86 C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
MCULE-4374730563 0.85 O=C1CC2CCCCC2=C1
MCULE-6744252540 0.85 C1(=O)CC(CC=C1C)C(C)=C
MCULE-7861636306 0.85 C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-5633160153 0.85 O=C1C=C(CC2CC=CC2)CC1
MCULE-3625394348 0.85 O=C1C=C(CC2CC=CC2)CCCC1
MCULE-8180565288 0.85 O=C1C=C(CC2C3CCC(CC3)C2)CC1
MCULE-1175519180 0.85 C1C2C(=O)CCC=2CCC1
MCULE-1323244269 0.85 O=C(C1CCCC=1)C1CC2(CC2)CCC1
MCULE-9326244207 0.85 O=C(C1CCCC=1)C1CCC2(CC2)CC1
MCULE-4594101266 0.85 C1CC2(C)CC(=O)C=C2C1
MCULE-1451736151 0.85 C1(C(=CC[C@H](C(C)=C)C1)C)=O
MCULE-4775236455 0.85 CC1(C2(CCC(C=O)=CC2)C(=C)CCC1)C
MCULE-6900112057 0.85 C1CCCC2C(=O)CC(C)C=2CCCCCC1
MCULE-7452592467 0.85 C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-1282304829 0.85 C/C(/C)=C/CCC1CCCCC(=O)C=1
MCULE-4928649557 0.85 C1CC2C(=O)CC(C)(C)C=2CC1
MCULE-2320815624 0.85 C1CC2C(=O)CC(C)C=2CC1
MCULE-8557116567 0.85 C12([H])C(C)CCC1([H])C(C)=CC2=O
MCULE-3857929176 0.85 O=C1C=C(CC2C3C=CC(CC3)C2)CC1
MolPort-001-742-280 0.84 CC(C)=CCc1cc2ccc(=O)oc2cc1O
MCULE-4497275799 0.84 C1(CCCCC1=O)=CC(C)C
MCULE-7994229276 0.84 O=C(C1CCC1)CC1CC=CCC1
MCULE-6078845553 0.84 CC1CC(C(CC2CC=CCC2)=O)C1
MCULE-3080370181 0.84 C1CC2(CC(=O)CC2(C)CC=1)C
MCULE-8432152948 0.84 CC1(C(CC2CC=CCC2)=O)CC1
MCULE-7199540909 0.84 O=C(C1CCCCC1)CC1CC=CCC1
MCULE-7439135180 0.84 CC(C1(C(C2CCCC=2)=O)CC1)C
MCULE-1027304648 0.84 O=C(/C=C1\CCCCC\1)CC1CC=CC1
MCULE-7944143685 0.84 O=C(C1CC1)CC1CC=CCC1
MCULE-2614181271 0.84 CC(C(CC1C2C=CC(CC2)C1)=O)(C)C
MCULE-1842062313 0.84 CC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-1648678126 0.84 CC1C(C(CC2CC=CCC2)=O)C1
MCULE-5661083032 0.84 CC1C(C(CC2CC=CCC2)=O)CCC1
MCULE-7214232871 0.84 C1C2=CCCC(C(C)C)C2CC(C=O)C1C
MCULE-4014926214 0.84 CC1CC(C(CC2CC=CCC2)=O)CC1
MCULE-5596219960 0.84 O=C(C1C2(CC2)C1)CC1CC=CCC1
MCULE-7487706695 0.84 CC1(C(C(CC2CC=CCC2)=O)C1)C
MCULE-3020606954 0.84 O=C1CC(C)(C)C2CC=CCC2C1(C)C
MolPort-023-299-051 0.83 COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1CC=C(C)C
MolPort-023-299-051 0.83 COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1CC=C(C)C
MCULE-4552456295 0.83 O=C1CCC2(C)C3CCC4(C)C(=CC=C)CCC4C3CCC2=C1
MCULE-8961312077 0.83 C(CC(C)CC(C)(C)C)=CC(CC(C)C)=O
MCULE-4736378843 0.83 CC(C=O)(CC1CC=CCC1)C
MCULE-5394370706 0.83 C12CCCC(=O)[C@@]1(C)CCC(=O)C=2C
MCULE-4596748719 0.83 C12(CCC)CCC(C=C1CCCC2=O)=O
MCULE-5207755083 0.83 C1(CCCC=C1)=O
MCULE-2454891288 0.83 C12(C)CCC(C=C1CCCC2=O)=O
MCULE-3803033906 0.83 [C@]12(C)CCC(C=C1CCCC2=O)=O
MCULE-4078078854 0.83 CC(C(C)=O)CC1CC=CCC1
MCULE-8227436556 0.83 C1(=O)CCCC=CCCCCCCCCCC1
MolPort-035-705-770 0.82 COc1cc(OC)c2ccc(=O)oc2c1CC=C(C)C
MolPort-035-705-770 0.82 COc1cc(OC)c2ccc(=O)oc2c1CC=C(C)C
MCULE-2754957448 0.82 O=C(C1CCCC=1)C1C2C(C2)CCC1
MCULE-5633538128 0.82 C12CCCC1(C)CC(=O)C=2C
MCULE-6708433496 0.82 C12CCC1C(=O)C=C2
MCULE-1020785874 0.82 O=C(C12CCCC1C2)C1CCCCCC=1
MCULE-1287633510 0.82 C1(CCCCCC)=CCCC1=O
MCULE-7221367574 0.82 O=C(C12CCCC1C2)C1CCCC=1
MCULE-7541137822 0.82 O=C1C=C(C2(C)C(C)C(C)C12C)C
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