SANC00195 Cubebenone




Analog ID Simularity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-046-765-408 0.92 C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1C2=O
MolPort-046-688-566 0.91 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC=C2
MolPort-019-990-215 0.91 CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-003-892-348 0.91 CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-8316425336 0.91 O=C(C12CCCCC1C2)C1CCCC=1
MCULE-6340945460 0.91 O=C(C12CCCCC1C2)C1CCCCC=1
MCULE-6739386631 0.91 O=C(C1CCCCC=1)C1CC2C(C2)CC1
MCULE-2754957448 0.91 O=C(C1CCCC=1)C1C2C(C2)CCC1
MCULE-1731235356 0.91 O=C(C1CCCCC=1)C1C2C(C2)CCC1
MCULE-5865441641 0.91 O=C(C1CCCC=1)CC1CC2C(C2)CC1
MCULE-7458844213 0.91 O=C(C1CCCC=1)C1CC2C(C2)CC1
MolPort-046-793-097 0.89 CC(=O)[C@H]1CC=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-1925425954 0.89 C12CCCCC1CCC(=O)C=2
MCULE-8180565288 0.89 O=C1C=C(CC2C3CCC(CC3)C2)CC1
MCULE-9326244207 0.89 O=C(C1CCCC=1)C1CCC2(CC2)CC1
MCULE-1319324374 0.89 CC1CC=C(C(CC2CC=CC2)=O)CC1
MCULE-4374730563 0.89 O=C1CC2CCCCC2=C1
MCULE-8599123114 0.89 C12(C)CCCCC1=C(C)C(=O)CC2
MCULE-1048579708 0.89 C12(C)CCCC(C)(C)C1=CC(=O)CC2
MCULE-5631441050 0.89 C12CCCCC1(C)CCC(=O)C=2
MCULE-1342617339 0.89 C1CC2C3CCCCC3=CC(=O)C2CC1
MCULE-3926742898 0.89 O=C1C=CC2(CCCCC2)CC1
MCULE-1323244269 0.89 O=C(C1CCCC=1)C1CC2(CC2)CCC1
MCULE-7781678672 0.89 C12CCCCC1C(CC(=O)C=2)C(C)C
MCULE-8706542409 0.89 C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2
MCULE-3857929176 0.89 O=C1C=C(CC2C3C=CC(CC3)C2)CC1
MCULE-2123440957 0.89 CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1
MCULE-2344630269 0.89 C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
MCULE-8099197121 0.89 C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MCULE-6135208734 0.89 CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
MolPort-046-600-627 0.89 CC(=O)CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
MolPort-035-706-207 0.89 CC(C)[C@H]1[C@H]2C=C(C)C(=O)C[C@H]2[C@H](C)CC1=O
MolPort-044-723-195 0.89 C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-039-052-668 0.89 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-046-774-258 0.89 O=C1CCC2(CCCCCC2)C=C1
MolPort-001-790-211 0.89 O=C1CCC2CCCCC2=C1
MolPort-002-511-291 0.89 CC(C)C1CC(=O)C=C2CCCCC12
MolPort-046-646-770 0.89 O=C1CC2(CCCCCC2)C=C1
MolPort-003-913-461 0.89 O=C1CC2CCCCC2=C1
MolPort-046-203-126 0.89 O=C1CC2(CCCCC2)C=C1
MolPort-022-257-993 0.89 O=C1CC2CCCCCC2=C1
MolPort-020-173-604 0.89 O=C1CCC2(CCCCC2)C=C1
MolPort-002-706-878 0.86 CC(=O)C12CC(C)=C(C)CC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
MolPort-003-958-950 0.86 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-019-994-121 0.86 CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-023-276-307 0.86 CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-690-449 0.86 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
MolPort-035-757-683 0.86 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-002-507-478 0.86 C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C
MolPort-023-274-272 0.86 CCC(\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-002-509-205 0.86 C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
MolPort-002-509-923 0.86 CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-002-511-077 0.86 C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-002-517-271 0.86 C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
MolPort-019-940-196 0.86 CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
MolPort-003-941-496 0.86 C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-023-298-999 0.86 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-002-524-345 0.86 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-035-706-382 0.86 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-002-526-176 0.86 CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-527-029 0.86 CC1C[C@H]2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-044-652-024 0.86 CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-001-794-643 0.86 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-847-259 0.86 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-003-849-979 0.86 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-044-728-843 0.86 CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
MolPort-023-299-008 0.86 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MolPort-002-506-935 0.86 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-046-596-417 0.86 CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-001-785-926 0.86 CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-001-740-063 0.86 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-039-052-425 0.86 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-000-730-189 0.86 CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-765-458 0.86 CC[C@H](\C=C\[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-793-263 0.86 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
MolPort-000-146-137 0.86 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-1177617044 0.86 C1(=O)CC23CC2(CCC3)C=C1
MCULE-3936888193 0.86 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC1CC(C)=C(C)CC21C(C)=O
MCULE-2014220888 0.86 O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
MCULE-9637050612 0.86 O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
MCULE-4876387221 0.86 O=C(C1CCCCC=1)CC1CC2C(C2)C1
MCULE-3394759576 0.86 C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
MCULE-3893717167 0.86 [C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
MCULE-8777632906 0.86 O=C(C1CCCC=1)CC1CC2C(C2)C1
MCULE-3526435182 0.86 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
MCULE-2160116138 0.86 O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1
MCULE-7221367574 0.86 O=C(C12CCCC1C2)C1CCCC=1
MCULE-5119094209 0.86 O=C(C12CCCC1C2)C1CCCCC=1
MCULE-4303966960 0.86 C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
MCULE-3386101177 0.86 [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-8902385122 0.86 [C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-3125023758 0.86 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-1373086617 0.86 O=C(C1CCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
MCULE-4324141268 0.86 [C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
MCULE-8417547529 0.86 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
MCULE-3132312011 0.86 O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H]
MCULE-9795083418 0.86 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-8519555544 0.86 C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
MCULE-8841120984 0.86 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-7132823730 0.86 [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-7380885765 0.86 O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
MCULE-1327216619 0.86 CC1(CC(CC2CC=CC2)=CC(=O)C1)C
MCULE-4900297288 0.86 CC1CC(CC2CC=CC2)=CC(=O)C1
MCULE-9661302470 0.86 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
MCULE-5238788396 0.86 [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-1428417742 0.86 [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-3425686308 0.86 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-8690639813 0.86 [C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
MCULE-6538426298 0.86 O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
MCULE-6738536824 0.86 O=C1C(C)=C2C(CCCC2(C)CC1)=O
MCULE-7384114075 0.86 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
MCULE-6302987664 0.86 O=C(C1CCCC=1)C1C(C2CC2)C1
MCULE-2807643168 0.86 C1(C)CC(=O)C=C1CCCCC
MCULE-1903986936 0.86 CC(C1C(C(C2CCCCC=2)=O)C1)(C)C
MCULE-9551990259 0.86 CC1=CC(=O)CC(CC)C1
MCULE-9290289108 0.86 C1(C)C(=O)C=CC(C(C)C)C1
MCULE-7174333293 0.86 C1C(C[C@@H](CC=1C)CCC)=O
MCULE-9392368882 0.86 C1=CC(CCC1(CCC)CCC)=O
MCULE-1887138472 0.86 O=C1C(C)C(CC)C(C)C(CC)=C1
MCULE-9861301536 0.86 C1C(CC(CC=1C)CCC)=O
MCULE-7700432494 0.86 O=C(C1CCCCC=1)C1C2(CC2)C1
MCULE-1578387226 0.86 O=C(C1CCCC=1)CC1CC=CC1
MCULE-2358765585 0.86 O=C1CCCC2C(C(C(C)(C)C1=2)C)(C)C
MCULE-2750952157 0.86 O=C(C1CCCCC=1)C1C(C2CC2)C1
MCULE-8800846446 0.86 CC(C1C(C(C2CCCC=2)=O)C1)(C)C
MolPort-006-115-641 0.86 CCCC1CC(C)=CC(=O)C1
MolPort-046-158-507 0.86 C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
MolPort-002-513-687 0.86 CC1=C(CC2C(CCCC2(C)C)C1)C=O
MolPort-006-110-398 0.86 CC(C)C1CCC(C)=CC1=O
MolPort-006-126-764 0.86 CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C
MolPort-013-791-457 0.86 O=C(C1CCCCC1)C1=CCCCC1
MolPort-002-506-951 0.86 CCC[C@@H]1CC(C)=CC(=O)C1
MolPort-004-960-127 0.84 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
MolPort-002-509-201 0.84 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
MolPort-002-911-134 0.84 CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2=O
MolPort-002-070-296 0.84 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MCULE-7455827757 0.84 C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
MCULE-6238783971 0.84 [C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
MCULE-5461214891 0.84 [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-9740579162 0.84 C1(C(C)=O)CC(=O)C(C)=CC1
MCULE-1638755617 0.84 O=C(C)C1C(C=C(C)CC1)=O
MCULE-7051793102 0.84 C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
MCULE-5384019764 0.84 C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C
MCULE-2318177037 0.84 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-7241385729 0.84 C1(=O)C=C(C)CC(C)(C)C1C(C)=O
MCULE-7083384019 0.84 CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
MCULE-1235419293 0.84 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
MCULE-7535047148 0.84 CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
MolPort-002-746-923 0.84 CC(=O)C1CC=C(C)C(=O)C1
MolPort-002-506-958 0.84 CC(=O)C1C(=O)C=C(C)CC1(C)C
MolPort-035-679-062 0.84 C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-020-005-765 0.84 CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
MolPort-039-338-118 0.84 C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-023-298-997 0.84 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-594-365 0.84 CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1
MolPort-046-691-486 0.84 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-038-386-020 0.83 CC(CC(=O)C=C(C)C)C1CCC(C)=CC1=O
MolPort-000-146-079 0.83 CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
MolPort-046-674-170 0.83 O=C1CC2(CCC2)C=C1
MolPort-000-706-765 0.83 CC1=CC(=O)C2CC1C2(C)C
MolPort-019-992-002 0.83 O=C1CCC2(CCCC2)C=C1
MolPort-046-508-800 0.83 O=C1CC2(CCCC2)C=C1
MolPort-044-832-300 0.83 CC1(C)[C@@H]2C[C@H]1C(=O)C=C2
MCULE-8557116567 0.83 C12([H])C(C)CCC1([H])C(C)=CC2=O
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