SANC00716 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-[(2E,6E)-3,7,11-trimethyl-9-oxo-2,6-dodecadien-1-yl]-



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Analog ID Similarity score SMILES

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Mcule | MolPort | All | None
MCULE-9976634952 0.86 C12CC(=C(C)CC=1C(=O)C1CC(C)=C(C)CC=1C2=O)C
MolPort-039-052-323 0.85 CC(C)=C1C\C=C(C)/CC\C=C(C)/CC1=O
MolPort-020-005-710 0.85 CC(C)=C1C\C=C(C)\CC\C=C(C)\CC1=O
MolPort-046-762-450 0.85 CC(C)=C1C\C=C(C)\CC\C=C(C)/CC1=O
MolPort-039-144-999 0.85 CC(C)=C1C\C=C(C)\CCC=C(C)CC1=O
MCULE-7573937296 0.85 C/C(=C1/C(=O)CC(C)=CCCC(C)=CC/1)/C
MCULE-6153734702 0.85 C1C(C)=CC/C(=C(/C)\C)/C(=O)CC(C)=CC1
MCULE-6776633195 0.85 C/C(=C1\C(=O)CC(C)=CCCC(C)=CC\1)/C
MCULE-4464721001 0.83 C12C(=O)C=CC(=O)C=1C1C3C=CC3C2C=C1
MCULE-8288730380 0.82 C1C(=O)C2C3CCC(C(C)=C3)C=2C(=O)C=1
MCULE-4768757628 0.81 CC1CC2C(=C3C(C4C(=O)C(=O)C=42)CC(C)CC3)CC1
MCULE-8302753934 0.80 C1(=CC(C=CC1=O)=O)CCC1=CC(C=CC1=O)=O
MCULE-4203969651 0.80 C1(=CC(C(C)=CC1=O)=O)CCC1=CC(C(C)=CC1=O)=O
MolPort-002-894-037 0.80 CC1=CC(=O)C(CCC2=CC(=O)C(C)=CC2=O)=CC1=O
MolPort-002-915-849 0.80 O=C1C=CC(=O)C(CCC2=CC(=O)C=CC2=O)=C1
MolPort-002-915-854 0.79 CC1=CC(=O)C(CCCC2=CC(=O)C=CC2=O)=CC1=O
MCULE-9625917775 0.79 C1(CCCC2=CC(C=CC2=O)=O)=CC(C(C)=CC1=O)=O
MCULE-6393727075 0.79 C12C[C@@H](CC[C@@]1(C)C=CC(=O)C=2C)C(C)=C
MCULE-3533996454 0.79 C(=CC(CCC=C)=O)C1C(C)(C)CCC=C1C
MolPort-046-765-581 0.79 C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC=C2C(=O)C=O
MolPort-001-766-682 0.79 CC1=CCCC(C)(C)C1\C=C\C(=O)CCC=C
MolPort-023-279-166 0.78 CC(C)C1=CC(=O)C=C(C(C)C)C1=O
MolPort-000-141-928 0.78 CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
MolPort-002-904-388 0.78 CCC1=CC(=O)C=C(CC)C1=O
MCULE-5214801115 0.78 C1(C(C)(C)C)=CC(=O)C=C(C(C)(C)C)C1=O
MCULE-5817153512 0.78 C1(=O)C(C(C)C)=CC(=O)C=C1C(C)C
MCULE-6490731029 0.78 C1(CC)=CC(C=C(CC)C1=O)=O
MCULE-1863648617 0.78 C1[C@@]2(C)C(C(=O)C[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC2=O)=CC(=O)C=1
MCULE-2395006256 0.78 O=C1C=C[C@@]2(C)C(C(C[C@@]3([C@@]2(CC[C@@]2(C)[C@]3(CCC2=O)[H])[H])[H])=O)=C1
MolPort-028-750-136 0.78 C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MCULE-2300065923 0.77 C1(CCCCCCC2=CC(C=CC2=O)=O)=CC(C=CC1=O)=O
MCULE-3468058170 0.77 C1(CCCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
MCULE-9582195314 0.77 C1(CCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
MCULE-8485600766 0.77 O=C1C(C(C)(C)CC(C)(C)C)=CC(C(C(CC(C)(C)C)(C)C)=C1)=O
MolPort-002-915-848 0.77 O=C1C=CC(=O)C(CCCCCCC2=CC(=O)C=CC2=O)=C1
MolPort-002-915-935 0.77 CC1=CC(=O)C(CCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
MolPort-002-915-936 0.77 CC1=CC(=O)C(CCCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
MolPort-002-549-449 0.76 CC(C)(C)C1=CC2(CCCC2)C=C(C1=O)C(C)(C)C
MolPort-003-891-724 0.76 CCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)CC
MCULE-8076747851 0.76 O=C1C(C)(CC=C)C(C)C=C1CC=C
MCULE-5877894053 0.76 C(C)(C)(CC)C1C(C=C(C(C=1)=O)C(CC)(C)C)=O
MCULE-6987941164 0.76 C1(C(C)(C)C)=CC2(CCCC2)C=C(C(C)(C)C)C1=O
MCULE-3036443253 0.76 O=C1C(C)=C(C)C(CCC2(C)C(C)=C(C)C(C(C)=C2C)=O)(C)C(C)=C1C
MolPort-046-589-601 0.74 CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
MCULE-7093893764 0.74 C1=CC2C3C(C)([H])C4C(=O)C=CC(=O)C4C(C)([H])C=3C1C2
MCULE-7363650943 0.74 O=C1C=CC2(C)C3C(CC4(C)C(CCC4C3CCC2=C1)=O)=O
MCULE-2259130970 0.74 C1(C(C)(C)C)=CC2(CC2)C=C(C(C)(C)C)C1=O
MolPort-002-879-590 0.74 CC1=CC(=O)C2CC1C(C)=CC2=O
MolPort-002-549-671 0.74 CC(C)(C)C1=CC2(CC2)C=C(C1=O)C(C)(C)C
MolPort-001-817-082 0.73 CC1=CC(=O)C(=CC1=O)C(C)(C)C
MolPort-001-779-768 0.73 CC(C)C1=CC(=O)C(C)=CC1=O
MolPort-000-861-080 0.73 CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C
MolPort-003-932-638 0.73 CC(C)(C)C1=CC(=O)C=CC1=O
MCULE-3225619905 0.73 C1(C(=O)C=CC(=O)C=1)C[C@]1(C)[C@@H](C)CC[C@]2(C)C(=CCC[C@@H]12)C
MCULE-8682863565 0.73 C1(C(C)(C)C)C(=O)C=CC(=O)C=1
MCULE-5207883585 0.73 C1(C(C)(C)C)C(=O)C=C(C(=O)C=1)C
MCULE-9899033250 0.73 C1(=O)C(C)=CC(=O)C(C(C)C)=C1
MCULE-5433016497 0.73 C1(C(C)(C)C)C(=O)C=C(C(=O)C=1)C(C)(C)C
MolPort-002-514-318 0.72 CC\C=C\CC1=C(C)CCC1=O
MolPort-002-894-025 0.72 C[C@]12C=CC(=O)[C@@]1(C)C(=O)C=C2
MolPort-003-929-044 0.72 CC\C=C/CC1=C(C)CCC1=O
MolPort-006-111-428 0.72 CCC=CCC1=C(C)CCC1=O
MCULE-1952094862 0.72 O=C1CCC(C)=C1C/C=C/CC
MCULE-8490201471 0.72 C1(CC=CCC)C(=O)CCC=1C
MCULE-1076344451 0.72 [C@]12(C)C(=O)C=C[C@@]1(C)C=CC2=O
MCULE-2459463798 0.72 C1(C/C=C\CC)C(=O)CCC=1C
MCULE-1426909577 0.72 C1(=O)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
MolPort-035-706-199 0.72 C[C@@H]1CC(=O)C([C@H]2C=C(C)C(=O)C[C@@H]12)=C(C)C
MolPort-000-145-914 0.71 CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C
MolPort-002-511-910 0.71 C\C(C=O)=C\CC1=C(C)CCCC1(C)C
MolPort-021-804-466 0.71 C\C(CO)=C1\C\C=C(C)\CC\C=C(C)\CC1=O
MolPort-000-830-001 0.71 C\C(C=O)=C/CC1=C(C)CCCC1(C)C
MolPort-046-196-627 0.71 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-690-624 0.71 C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3CCC2(C)[C@@]1(C)C(C)=O
MolPort-003-666-031 0.71 C[C@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C1CCC2=O
MolPort-002-506-962 0.71 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-001-740-071 0.71 C[C@]12CCC3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CCC2=O
MolPort-000-739-273 0.71 CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O
MolPort-002-524-060 0.71 C[C@@H]1CC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MCULE-7072600101 0.71 C1(C(C)=CCCC1(C)C)C=C(C)C(=O)C
MCULE-9638281061 0.71 C1=C(C)CC(=O)/C(=C(/CO)\C)/CC=C(C)CC1
MCULE-6918609415 0.71 C1(C(C)(C)CCCC=1C)CC=C(C)C=O
MCULE-9344488087 0.71 C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
MCULE-4240902847 0.71 C1(=CC2CCCCC2)C(=O)C(=CC2CCCCC2)CC1
MCULE-3980671232 0.71 C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1CC(C)C2(C)C(C)=O
MCULE-7782959791 0.71 C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1C[C@@H](C)[C@]2(C)C(C)=O
MCULE-2836304314 0.71 [C@]12(C)C=CC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-1263670923 0.71 O=C1C2CCCCC=2C2(CCCC2)C2CCCCC=21
MCULE-4601922145 0.71 C123CC=C(C)C(C1)C(C=C2CC(CC3=O)(C)C)=O
MolPort-002-512-842 0.71 CC1=CCC23CC1C(=O)C=C2CC(C)(C)CC3=O
MolPort-039-338-609 0.70 CC1CC(=O)C(CC=C1CCC(C)=O)=C(C)C
MCULE-4904757465 0.70 C1(CCC(=O)C)C(C)CC(=O)/C(=C(\C)/C)/CC=1
MCULE-2527215493 0.70 C1=CC2C=CC3C(=O)CC1C23
MolPort-000-719-686 0.69 CC(=O)\C=C\C1C(C)=CCCC1(C)C
MolPort-004-288-323 0.69 CC(=O)C=CC1C(C)=CCCC1(C)C
MCULE-7672510075 0.69 C12C(=O)C(C3([H])C(=O)C=CC13[H])C=C2
MCULE-4060282567 0.69 O=C1C(C)(C)C2(C)C3C(C=CC(C3C1(C)C(C)=C2C)=O)=O
MCULE-4129352835 0.69 C1C(=O)C(C2C(=O)C=C(C)C(=O)C=2)=CC(=O)C=1C
MolPort-019-939-283 0.68 C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\CC1
MolPort-044-561-264 0.68 C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C/CC1
MolPort-002-507-391 0.68 C\C=C\C(=O)C1=C(C)CCCC1(C)C
MolPort-001-834-902 0.68 O=C1C(CCCC1=C1CCCCC1)=C1CCCCC1
MolPort-002-506-968 0.68 CC(=C)C1CC=C(C)C(=O)C1
MolPort-002-507-612 0.68 CC(=C)[C@@H]1CC=C(C)C(=O)C1
MolPort-001-769-671 0.68 CC(=C)[C@H]1CC=C(C)C(=O)C1
MCULE-8716463141 0.68 C1(C)(C)CC=C(C)CCC=C(C)C(=O)C=C1
MCULE-6744252540 0.68 C1(=O)CC(CC=C1C)C(C)=C
MCULE-7861636306 0.68 C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-7452592467 0.68 C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-1451736151 0.68 C1(C(=CC[C@H](C(C)=C)C1)C)=O
MCULE-5173487034 0.68 C1C2CC(C=CC2=O)C(=O)C=1
MCULE-7518217448 0.68 [C@]12(C)C=CC(C=C1C(C[C@@]1([H])[C@]3([C@@](C)(C(CC3)=O)CC[C@@]12[H])[H])=C)=O
MCULE-5049403375 0.68 C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2=C
MCULE-5543998347 0.68 O=C1C=C2CCCCC32C1C1C(=O)C3C2CCCCC=21
MCULE-1201927354 0.67 C1(C(CC)(CC)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C(CC)(CC)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O)=O)=O
MCULE-2488250148 0.67 C12C=CC(C34CC=CCC13C=C4)C1C(=O)C=CC(=O)C21
MCULE-4531694532 0.67 C1=CC2C3C=CC3C1C1C(=O)C=CC(=O)C12
MCULE-5070166283 0.67 C1(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=C1)=O)=O)=O)=O
MCULE-2256614888 0.67 C1(=O)C(C)(C)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O
MCULE-7503158705 0.67 C1=CC2C=CC3C(C(C)(C(C)=O)C)=CC1C23
MCULE-4042007732 0.67 C1(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O)=O)=O
MolPort-001-787-631 0.67 CC(C)=C1CCC(C)=CC1=O
MolPort-002-799-486 0.67 CC(=C)C[C@]12CCC(=O)C=C1CCCC2=O
MolPort-046-147-057 0.67 CC(=C)[C@H]1CC(C)=C(C)C(=O)C1
MolPort-035-705-911 0.67 CC(=O)\C=C\[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C
MolPort-003-009-914 0.66 O=C1C=CC2C=CC3=C4C(C=CC3=O)C=CC1=C24
MCULE-9221484223 0.66 C12C3C=CC(=O)C=1C=CC1C=CC(=O)C(C=C3)=C21
MCULE-6846518311 0.66 C1=CC2C=CC3C(=C([H])O)C(=O)C1C23
MCULE-9253654000 0.66 C1=CC2CC1C1C(=O)C=CC12
MCULE-2280015640 0.66 C(C)(=C)[C@@]1([H])CCC(=CC1)C=O
MCULE-2093338891 0.66 C1(=O)/C(=C2\CCCC\2)/CC/C/1=C1\CCCC\1
MCULE-1776810440 0.66 C=C(C)[C@H]1CCC(C=O)=CC1
MCULE-2913420738 0.66 C(C)(=C)C1([H])CCC(=CC1)C=O
MCULE-5632142516 0.66 C(C(CCC=C(C)CC/C=C(\C)/C)=O)=CC(C)C
MolPort-002-506-993 0.66 CC(=C)[C@H]1CCC(C=O)=CC1
MolPort-000-855-076 0.66 C\C=C\C(=O)C1C(C)=CCCC1(C)C
MolPort-002-720-719 0.66 O=C1C(CCC1=C1CCCC1)=C1CCCC1
MolPort-000-733-785 0.66 CC(C)\C=C\C(=O)CC\C=C(/C)CCC=C(C)C
MCULE-6557651976 0.65 C1(=O)C2C=CC(=O)C2C=C1
MCULE-5099561644 0.65 O=C1CCC2=CC(CC[C@@]21C)=O
MCULE-9487562113 0.65 [C@@]12(C)CCC(=O)C=C1CCC2=O
MCULE-1385714254 0.65 C123C4C5C6C(C1(C(=O)C=C2C)C5C=C4)C=CC36
MCULE-3460481488 0.65 C1(=O)C=C2[C@](C)(C(=O)CC2)CC1
MCULE-8456618809 0.65 C12(C)CCC(=O)C=C1CCC2=O
MolPort-002-904-272 0.65 CC12CCC(=O)C=C1CCC2=O
MolPort-006-666-093 0.65 C[C@@]12CCC(=O)C=C1CCC2=O
MolPort-004-959-640 0.65 C[C@]12CCC(=O)C=C1CCC2=O
MolPort-044-727-244 0.64 CC1(C)CCCC(=C)C11CCC(C=O)=CC1
MolPort-046-158-440 0.64 CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)=C(CC[C@]23C)C(O)=O)C1=O
MolPort-000-716-292 0.64 CC1CC(C)=CCC1\C=C\C(C)=O
MolPort-000-787-941 0.64 CC1CC(C)=CC(C)C1\C=C\C(C)=O
MolPort-042-682-313 0.64 [Na+].[Na+].CC(C)(C1=C[CH-]C(=O)C=C1)C1=C[CH-]C(=O)C=C1
MCULE-8192482534 0.64 O=C1C=CC2(C)C(C1)CC=CC2
MCULE-6489078705 0.64 C1CC2([H])C(=O)C=CC(=O)C2([H])CC=1
MCULE-4775236455 0.64 CC1(C2(CCC(C=O)=CC2)C(=C)CCC1)C
MCULE-4547070816 0.64 C1(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)C=C1
MCULE-6264302119 0.64 C1(=O)C(CC)(CC)C(=O)C=CC(C(C)(C)C(=O)C=CC(=O)C(CC)(CC)C(=O)C=CC(C(C)(C)C(=O)C=C1)=O)=O
MCULE-6769530046 0.64 C(C1CC=C(CC1C)C)=CC(C)=O
MCULE-4541255966 0.64 C(=CC(C)=O)C1C(C)CC(=CC1C)C
MCULE-5288068491 0.64 C1(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=C1
MCULE-1551509118 0.64 O=C1C=CC(C(C)(C)C(C=CC(C(C)(C)C(C=CC(C(C)(C)C(C=CC(C1(C)C)=O)=O)=O)=O)=O)=O)=O
MCULE-3333037285 0.64 C1(C(C)(C)C)=CC(=C)C=C(C(C)(C)C)C1=O
MCULE-6900112057 0.64 C1CCCC2C(=O)CC(C)C=2CCCCCC1
MCULE-1282304829 0.64 C/C(/C)=C/CCC1CCCCC(=O)C=1
MCULE-5633160153 0.64 O=C1C=C(CC2CC=CC2)CC1
MCULE-9661805986 0.64 C1CC2[C@]([C@H]([C@@H]1O)C)(C)C=C(C(C)=C)C(=O)C=2
MCULE-2031804178 0.64 C1(CCC(C)=O)=C(C)CCC1C(C)=C
MolPort-042-665-810 0.64 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C=C)[C@H]3CC[C@]12C
MolPort-019-879-284 0.64 CC(C)(C)C1=CC(=C)C=C(C1=O)C(C)(C)C
MolPort-038-900-529 0.64 C=CC(=O)C1=CCCC1
MolPort-002-508-961 0.64 CC(=O)CCC1=C(C)CCC1C(C)=C
MolPort-023-274-322 0.64 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)=C
MolPort-006-118-882 0.63 CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
MolPort-023-220-687 0.63 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
MolPort-001-561-429 0.63 CC1=CC(=O)C(C)=C(C)C1=O
MolPort-003-940-973 0.63 CC1=CC(=O)C=C(C)C1=O
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