SANC01010 β-Ionone




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-004-288-372 1 CC(=O)C=CC1=C(C)CCCC1(C)C
MolPort-001-783-113 1 CC(=O)\C=C\C1=C(C)CCCC1(C)C
MCULE-3640052920 1 C1(C(C)(C)CCCC=1C)C=CC(C)=O
MCULE-5135553681 1 C1(C(C)(C)CCCC=1C)/C=C/C(C)=O
MCULE-7280705047 0.97 C(CC)(C=CC1C(C)(C)CCCC=1C)=O
MolPort-046-764-724 0.89 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C\C(\C)=[13CH]/[13CH]=O
MolPort-003-850-152 0.89 C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O
MolPort-003-850-149 0.89 C/C(/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O
MolPort-003-850-150 0.89 C/C(/C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O
MolPort-006-147-910 0.89 C/C(/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O
MolPort-003-850-151 0.89 C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O
MolPort-044-723-808 0.89 CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=O
MolPort-046-417-791 0.89 [2H]C([2H])([2H])C(=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
MolPort-046-416-834 0.89 CC(=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
MCULE-9858142669 0.89 CC(=O)/C=C/C=C(\C)/C=C/C1C(C)(C)CCCC=1C
MCULE-2815659183 0.89 C1(CCC(C)=CC=CC(C)=O)C(C)(C)CCCC=1C
MCULE-5383443260 0.89 O=C/C=C(/C=C/C=C(/C=C/C1C(C)(C)CCCC=1C)\C)\C
MCULE-1539700449 0.89 C1(C=CC(C)=CC=CC(C)=CC=O)=C(C)CCCC1(C)C
MCULE-5217055788 0.86 C1(C(C)(C)CCCC=1C)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O
MolPort-006-126-055 0.85 CCCCCC\C=C\C=C\C=O
MolPort-003-925-047 0.85 CCCCCCC\C=C\C=C\C=O
MCULE-3891394680 0.85 C(=O)C=CC=CCCCCCC
MCULE-4673155716 0.83 C(/C1=C(C(=O)CCC1(C)C)C)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C(=O)CCC1(C)C)C
MCULE-2579370760 0.83 C12CCCCC1(C)C=CC1=C(C)C(=O)CCC21
MCULE-6839835548 0.83 C1C(C)(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)=C(C)C(=O)C1
MolPort-006-114-226 0.82 CCCCCC=CC=CC=O
MolPort-003-927-283 0.82 CCCCC\C=C\C=C\C=O
MolPort-004-964-306 0.82 C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C
MolPort-003-848-321 0.82 C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=O
MolPort-046-690-270 0.82 C/C(/C=C/C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C\C=O
MolPort-009-018-950 0.82 CCCCC\C=C\C=C/C=O
MCULE-9055179345 0.82 C(=CC=O)C=CCCCCC
MCULE-8478423084 0.82 CCCCC/C=C/C=C/C=O
MolPort-005-940-416 0.80 CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C
MolPort-005-940-383 0.80 CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-111-894 0.80 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-1707803932 0.80 CC(=O)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C=C3)[H])([H])CC1
MolPort-002-524-276 0.80 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MCULE-5539918199 0.80 O=C1CCC2(C)C(=C1)C=CC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
MolPort-046-761-472 0.80 [2H]C([2H])([2H])C(=O)C1([2H])CC[C@H]2[C@@H]3C=CC4=CC(=O)C([2H])([2H])C[C@@]4(C)[C@@H]3CC[C@]12C
MCULE-7642562558 0.80 C1(=O)C=C2[C@@](C)(CC1)[C@@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)C)CC3)C=C2
MolPort-046-790-350 0.80 C[C@@H]1CC(=O)C=C2C=C[C@@H]3[C@@H](C3(C)C)[C@@]12C
MCULE-2912938140 0.80 [C@]12(C)CCC3[C@@]([H])(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)C
MolPort-046-762-739 0.80 CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
MCULE-3991713113 0.80 O=C1C=C2[C@@]([C@]3([C@](C=C2)([H])[C@@]2([H])[C@]([C@H](CC2)C(=O)C)(C)CC3)[H])(C)CC1
MolPort-044-755-198 0.80 C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MCULE-4406036090 0.80 O=C1CCC2C(=C1)C=CC1(C)C2CC=CC1
MolPort-044-755-191 0.80 C[C@@]12CCC[C@H]1[C@H]1[C@H](CC2)[C@@]2(C)CCC=CC2=CC1=O
MCULE-8747875851 0.80 [C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])C=CC1=CC(=O)CC[C@]21C)C(=O)C
MCULE-9035102748 0.80 C1C(C)(C)C(C=CC(=O)CCN)=C(C)CC1
MolPort-042-694-235 0.79 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C=CCC[C@]31C
MolPort-002-148-287 0.79 CC1=C(\C=C\C(O)=O)C(C)(C)CCC1
MCULE-7714278100 0.79 C1C(C)(C)C(C=CC(=O)CCN)=C(C)CC1.I
MCULE-6180899458 0.79 C1(C(C)(C)CCCC=1C)C=CC(O)=O
MolPort-005-936-020 0.77 C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O
MCULE-7177776202 0.77 O=C1CC[C@H]2[C@@H]3CCC4=CC(CCC4=C3CC[C@@]21C)=O
MCULE-8942278212 0.77 C12CCC3(C(CCC3=O)C1CCC1=CC(=O)CCC=21)C
MolPort-039-338-117 0.76 C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-046-761-018 0.76 C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-005-938-309 0.75 C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MCULE-1245933135 0.75 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CCC4=C3C=CC2=CC1=O
MolPort-023-298-990 0.75 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-5702032347 0.75 C1(=C(C)CCCC1(C)C)C=CC(=CC(=O)O)CCCC
MCULE-9311583538 0.75 CC(/C=C1\CCCCCCC\1)=CC(O)=O
MCULE-6674224748 0.75 C[C@@]12C(=O)CC[C@]1([C@]1([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C(=C)C1)[H])[H]
MCULE-1953446416 0.75 C12=CC(CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CC2=C)=O)=O
MolPort-003-714-415 0.74 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O
MolPort-046-762-447 0.74 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C\C(\C)=C/C(O)=O
MolPort-046-689-613 0.74 C\C(\C=C\C1=C(C)C(C)(C)CCC1(C)C)=C\C=C\C(\C)=C\C(O)=O
MolPort-003-666-394 0.74 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O
MCULE-1361690752 0.74 CC1(/C(=C\C=C\C)/C(=CC(=O)C1)C)C
MolPort-006-395-874 0.74 [2H]C([2H])([2H])C1=C(\C=C\C(\C)=C\C=C\C(\C)=C/C(O)=O)C(C)(C)CCC1([2H])[2H]
MCULE-8718833430 0.74 C1(=CC=CC)C(C)(C)CC(=O)C=C1C
MolPort-000-883-857 0.74 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
MCULE-2335730115 0.74 C1(C(C)(C)CCCC=1C)C=CC(C)=CC(O)=O
MolPort-006-167-625 0.74 CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O
MCULE-2591910021 0.74 C1(C(C)(C)CCCC=1C)C=CC(C)=CC=CC(C)=CC(O)=O
MolPort-002-507-281 0.74 C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O
MCULE-9871118009 0.74 O=C(/C=C(/C=C/C=C(/C=C/C1C(C)(C)CCCC=1C)\C)\C)O
MCULE-7634624655 0.74 C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\C1C(C)(C)CCCC=1C
MCULE-4313077074 0.74 C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C\C(O)=O)=C(C)CC1
MCULE-2695555477 0.74 C(C)(=CC=CCCCC)C=O
MCULE-4172827844 0.73 CC1CC(=CC(C)=CC(O)=O)CC(C)C1
MCULE-2386401670 0.73 CC1C(C=CC(C)=CC(O)=O)CCCC1
MCULE-9280575413 0.73 CC1CC(C=CC(C)=CC(O)=O)CCC1
MCULE-7380178091 0.73 CC1CCC(C=CC(C)=CC(O)=O)CC1
MCULE-7523935375 0.73 CC(/C=C1\CCC(C)(C)CC\1)=CC(O)=O
MCULE-9682922276 0.73 CC(/C=C1\CCCCCC\1)=CC(O)=O
MCULE-7025674174 0.73 C(C=CC(=O)C)CCCCC
MCULE-4552456295 0.73 O=C1CCC2(C)C3CCC4(C)C(=CC=C)CCC4C3CCC2=C1
MolPort-003-848-328 0.72 C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C
MolPort-044-193-361 0.71 CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
MolPort-001-780-265 0.71 CC(C)=CCC\C(C)=C\C=C\C(C)=O
MolPort-001-785-959 0.71 C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
MolPort-006-118-512 0.71 CC(=O)C=CC1CCCCC1
MolPort-039-242-760 0.71 CC(=O)\C=C\C1CCCCC1
MolPort-044-561-368 0.71 C\C(\C=C/C=C(/C)\C=C/C1=C(C)CCCC1(C)C)=C\C=C/C=C(\C)/C=C\C=C(\C)/C=C\C1=C(C)CCCC1(C)C
MCULE-1061888927 0.71 C(=C/C(C)=O)\C=C(/C)\CC/C=C(\C)/C
MCULE-2586104233 0.71 C(=CC(C)=O)C=C(C)CCC=C(C)C
MCULE-2013298810 0.71 C1(C(C)(C)CCCC=1C)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)(C)CCCC=1C
MCULE-4797344726 0.71 CC(/C=C1\CCC2(CC2)CC\1)=CC(O)=O
MCULE-1150484669 0.71 C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C\C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)CCCC2(C)C)=C(C)CC1
MCULE-3019762823 0.71 CC1(C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2C(C)(C)CCCC=2C)\C)\C)/C)/C)=C(C)CCC1)C
MCULE-9308723337 0.71 CC(C1C(=CC(C)=O)CCCCC1)C
MCULE-4408401941 0.71 CCC1C(=CC(C)=O)CCCCC1
MCULE-4919875478 0.71 CC1C(=CC(C)=O)CCCCC1
MCULE-3424177321 0.71 CC(C=CC1CCCCC1)=O
MCULE-2429728192 0.71 CC(C=CC1C2CC3CC(C2)CC1C3)=O
MCULE-6006770933 0.71 CC(C=C(CC1CCCC1)C)=O
MCULE-8997101380 0.71 CC(C=C(CC1CCCCC1)C)=O
MolPort-046-690-271 0.70 C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C\C=C\C(\C)=C/C(O)=O
MolPort-039-338-119 0.70 C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-046-690-272 0.70 [2H]C([2H])([2H])\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
MolPort-003-928-807 0.70 CCCCC\C=C\C(C)=O
MolPort-003-848-325 0.70 C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
MCULE-7865324905 0.70 C12CC3C(CC(O)C(O)C3)CC1(C)C=CC1=C(C)C(=O)CCC21
MCULE-2158295420 0.70 C1(C(C)(C)CCC(=O)C=1C)C=CC(C)=CC=CC(C)=CC(O)=O
MCULE-9719790836 0.70 C1(/C=C/C(/C)=C/C=C/C(/C)=C/C(=O)O)=C(C)C(CCC1(C)C)=O
MCULE-8071809927 0.70 C(O)(=O)/C=C(/C)\C=C\C=C(/C)\C=C\C1C(C)(C)CCC(=O)C=1C
MCULE-6279515918 0.70 CC(C=C1CC2CC(CC2)C1)=CC(O)=O
MCULE-2447853309 0.70 C(=CC(=O)C)CCCCC
MolPort-001-812-557 0.69 CC1=CC=CC(C)(C)CC1=O
MolPort-002-911-165 0.69 C[C@]1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-510-272 0.69 CC(=O)\C=C\CC1[C@H]2CC[C@H](C2)C1(C)C
MolPort-000-716-292 0.69 CC1CC(C)=CCC1\C=C\C(C)=O
MolPort-046-689-465 0.69 C\C(\C=C/C=C(/C)\C=C\C1=C(C)C=CCC1(C)C)=C/C=O
MolPort-046-764-944 0.69 CCC(=O)\C=C\C=C(\C)CCC=C(C)C
MolPort-000-787-941 0.69 CC1CC(C)=CC(C)C1\C=C\C(C)=O
MolPort-046-689-250 0.69 C/C(/C=C/C=C(/C)\C=C\C1=C(C)C=CCC1(C)C)=C\C=O
MolPort-028-599-946 0.69 C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O
MolPort-035-706-518 0.69 C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
MCULE-8641992310 0.69 CC(=O)C(C)=CC=C(C)CC/C=C(/C)\C
MCULE-6946131615 0.69 C12C=CCCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MCULE-6769530046 0.69 C(C1CC=C(CC1C)C)=CC(C)=O
MCULE-4541255966 0.69 C(=CC(C)=O)C1C(C)CC(=CC1C)C
MCULE-9043838368 0.69 O=C1C(C)=CC=CC(C)(C)C1
MCULE-1128702855 0.69 C1C[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@@H](C)O)CC[C@@]4([H])[C@]3([H])C=CC2=CC1=O
MCULE-6821761650 0.69 C1CC2C=C(C3C4CCC5CCC(C=3)C54[H])C3CCC1C23[H]
MCULE-5149400241 0.69 CC(C=C1C(C2CC2)CCCC1)=O
MCULE-1122672664 0.69 CC(C=C1C2(CCCC2)CC1)=O
MCULE-9709274473 0.69 CC(C=C1C2(CCCCC2)CC1)=O
MCULE-6708778199 0.69 CC(/C=C1\CCC2(CC2)CC\1)=O
MolPort-003-960-107 0.68 CC1=C(C=O)C(C)(C)CC=C1
MolPort-006-126-056 0.68 CCCCC\C=C\C=C\C(O)=O
MolPort-003-931-189 0.68 CC1=CC(C)(C)CCC1=O
MolPort-003-846-085 0.68 [2H]C([2H])([2H])C1=C(C=O)C(C)(C)CCC1([2H])[2H]
MolPort-001-794-308 0.68 CC1=C(C=O)C(C)(C)CCC1
MolPort-001-787-706 0.68 CC(C)(C)C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C
MolPort-001-780-129 0.68 CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
MolPort-000-141-975 0.68 CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C
MolPort-009-681-959 0.68 CC(=O)C=C1CCCCC1
MolPort-046-197-155 0.68 C[C@@H](CCC=C(C)C)[C@H]1CCC(=C)C=C1
MolPort-046-674-690 0.68 CC(=O)C1=CC=C(C)CC1
MolPort-019-997-258 0.68 CC(C)C1CC=C(C)C(=O)C1
MCULE-7437222135 0.68 C1=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C/C/1=C/C=C1/C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C/1
MCULE-3451001062 0.68 C1(C(C)(C)C)C(=O)C(=O)C=C(C(C)(C)C)C=1
MCULE-6282449015 0.68 C1(C(C)(C)C)=C/C(/C=C(C(C)(C)C)C1=O)=C1\C=C(C(C)(C)C)C(C(C(C)(C)C)=C\1)=O
MCULE-7819289735 0.68 C1(CCCC(C)=C1C=O)(C)C
MCULE-8149754044 0.68 C(C1=CC(C)CCC1)=O
MCULE-1666536703 0.68 C[C@@H](C=C[C@H]([C@@H]1[C@]2(C)C(=C3[C@@](CC2)([H])[C@]2(C)[C@@]4([C@H](CC2)C4)C=C3)CC1)C)C(C)C
MolPort-006-167-524 0.67 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-960-162 0.67 CCC\C=C\C=C\C=O
MolPort-006-394-264 0.67 CCCCCCCCCCCCC\C=C\C=O
MolPort-006-114-412 0.67 CCCCCCC=CC=O
MolPort-002-534-267 0.67 O=CC=C1CCCCCCCCCCC1
MolPort-003-960-116 0.67 CCCCCCCC\C=C\C=O
MolPort-001-792-108 0.67 CCCCCC\C=C\C=O
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