SANC00661 Cyclodeca[b]furan-6-carboxaldehyde, 10-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-3-methylene-2-oxo-, [3aS-(3aR*,6Z,10Z,11aS*)]




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-001-742-311 0.97 C\C1=C/CC\C(=C\CC\C(C)=C\C2OC(=O)C(=C)C2CC1)C(O)=O
MCULE-3320650867 0.97 C1(CCC=C(C)CCC2C(C=C(CCC=1)C)OC(=O)C2=C)C(=O)O
MCULE-3762190089 0.96 C1(=O)O[C@H]2[C@@H](CCC(CO)=CCCC(COC(C)=O)=C2)C1=C
MolPort-001-742-456 0.96 CC(=O)OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC\C(CO)=C\CC1
MCULE-9208930385 0.93 C1(=O)OC2C(CCC(C)=CCC(O)C(C)=C2)C1=C
MCULE-9301632354 0.93 C1(=O)O[C@]2([C@@]([H])(CCC(C)=CCCC(C)=C2)C1=C)[H]
MCULE-2058016705 0.93 C1(=O)O[C@H]2[C@@H](CCC(C)=CCCC(C)=C2)C1=C
MolPort-046-701-494 0.93 CC1=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]2CC1
MolPort-044-561-229 0.93 C\C1=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
MolPort-009-758-696 0.93 C\C1=C\CC\C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2CC1
MolPort-016-633-200 0.93 CC1=CCC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
MolPort-002-524-221 0.93 C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
MCULE-7505841337 0.90 C1(=O)O[C@H]2[C@@H](CCC(=C)[C@@H](CCC(C)=C2)O)C1=C
MolPort-001-740-398 0.89 CC1[C@@H]2CC\C(=C\CC\C(C)=C\[C@H]2OC1=O)C(O)=O
MolPort-001-740-438 0.88 C\C1=C/CCC2=CC(C\C(C)=C\C3OC(=O)C(=C)C3CC1)OC2=O
MCULE-1414577822 0.88 C12=CC(OC1=O)CC(C)=CC1OC(=O)C(=C)C1CCC(C)=CCC2
MCULE-8617095272 0.88 C1(=O)O[C@H]2[C@@H]([C@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
MCULE-6232978473 0.88 C1(=O)O[C@H]2[C@@H]([C@@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
MolPort-001-742-457 0.88 OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C=O)=C/CC1
MolPort-001-742-458 0.88 OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C\C(C=O)=C/CC1
MolPort-046-762-705 0.86 C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2CC[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
MCULE-1022445986 0.86 C1CC2(C)C3CCC4/C(/C(CC4(C)C3(C)C(C(O)C2C(C1=O)C)=O)OC(=O)C)=C(/C(=O)O)\CC/C=C(\C)/C
MolPort-039-338-370 0.86 CC1=C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@H]1CC[C@]2(C)O
MolPort-001-739-739 0.86 CC1C2C(O)C(=O)C3(C)C(CCC4\C(C(CC34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)C2(C)CCC1=O
MCULE-9705119087 0.85 [H][C@@]12CCC(C)=CCCC(C)=C[C@@]1([H])OC(=O)C2
MolPort-046-762-702 0.84 C[C@@H]1[C@H]2CC[C@]3(C)[C@@H]([C@@H](O)C[C@@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-046-690-262 0.84 C[C@H]1[C@@H]2CC[C@@]3(C)[C@@H]([C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-046-765-335 0.84 C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2C(=O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
MolPort-046-762-703 0.84 C[C@H]1[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
MolPort-046-761-503 0.84 C[C@H]1[C@@H]2CC[C@@]3(C)[C@@H](C(=O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
MCULE-8148008657 0.84 C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C)=CC2=O)C1)C
MCULE-2738564503 0.84 C1CC(C)(C)C2C(C)(C(CC/C(/COC(=O)C)=C\C(=O)O)C(C=O)=CC2O)C1
MolPort-005-945-288 0.84 CC(=O)OC\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\C(O)=O
MolPort-005-945-281 0.84 CC(=O)OC\C(CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
MolPort-001-741-161 0.83 CC(C)=CCC\C(=C\CC\C(C)=C\CC\C(COC(C)=O)=C\COC(C)=O)C(O)=O
MCULE-8124558417 0.83 C/C(=C/CC/C(=C/CC/C(/C)=C/CC/C(=C/COC(C)=O)/COC(C)=O)/C(O)=O)/C
MCULE-4668660484 0.83 C/C(=C\CCC(=C1[C@@]2([H])[C@]([C@@]3([C@]([C@@H](C2)O)([H])[C@]2(C)[C@@]([C@@H]([C@@H](CC2)O)C)([H])CC3)C)(C)C[C@@H]1OC(=O)C)C(=O)O)/C
MCULE-4654267035 0.83 C12(C)CC(C(=C(CC/C=C(\C)/C)C(O)=O)C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O
MCULE-8921610933 0.83 [C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])/C(/[C@@H](OC(=O)C)C[C@]21C)=C(/C(=O)O)\CC/C=C(/C)\C)O)O
MCULE-1659372694 0.83 [C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@H](O)C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)O)CC/C=C(/C)\C)O
MolPort-038-942-576 0.83 C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)[C@@H]2[C@H](O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O
MolPort-039-338-228 0.83 CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@@H]2OC1=O
MolPort-001-934-122 0.83 CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
MolPort-006-117-806 0.83 C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O
MolPort-044-723-304 0.83 CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@H]2OC1=O
MolPort-046-764-551 0.83 [2H]C([2H])([2H])C(=CCC\C(C(O)=O)=C1/[C@H](C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@]21C)OC(C)=O)C([2H])([2H])[2H]
MolPort-044-723-717 0.83 C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2C([C@H](C[C@]12C)OC(C)=O)=C(CCC=C(C)C)C(O)=O
MolPort-002-964-476 0.83 CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C([O-])=O
MolPort-005-944-045 0.82 C[C@H]1[C@@H]2[C@H](O)C(=O)[C@@]3(C)[C@@H](CC[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)C=CC1=O
MolPort-005-945-283 0.82 CC(=O)OC\C(CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
MCULE-2094560228 0.82 C1=C[C@]2(C)[C@]3([H])CC[C@@]4([H])/C(=C(\C(O)=O)/CC/C=C(\C)/C)/[C@H](C[C@]4(C)[C@]3(C([C@@H](O)[C@@]2([H])[C@H](C)C1=O)=O)C)OC(=O)C
MCULE-7501478721 0.82 C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C=O)=CC2)C1)C
MCULE-6831179748 0.82 [Na+].[C@]12(C)CC[C@@]3([H])[C@H](C)[C@H](O)CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)[O-])CC/C=C(/C)\C)O
MCULE-9599862192 0.82 [Na+].C12(C)CC(C(=C(CC/C=C(/C)\C)C(=O)[O-])C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O
MCULE-8381855401 0.82 O[C@@H]1C[C@H]2/C(/[C@H](C[C@]2(C)[C@@]2(C)CC[C@H]3[C@H](C)[C@H](O)CC[C@]3(C)[C@H]12)OC(C)=O)=C(/C([O-])=O)\CC/C=C(/C)\C.[Na+]
MCULE-9055590032 0.82 [Na+].[C@]12(C)C[C@@H](C(=C(CC/C=C(/C)\C)C(=O)[O-])[C@]1([H])C[C@H]([C@]1([H])[C@]2(C)CC[C@@]2([C@]1(C)CC[C@@H](O)[C@H]2C)[H])O)OC(C)=O
MolPort-002-524-580 0.82 [Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
MolPort-000-707-568 0.82 [Na+].C[C@@H]1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C([O-])=O
MolPort-044-723-790 0.82 [Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2C([C@H](C[C@]12C)OC(C)=O)=C(CCC=C(C)C)C([O-])=O
MolPort-023-333-208 0.82 [Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)C2[C@H](O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
MolPort-003-938-775 0.82 [Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
MolPort-019-937-184 0.82 CC(C)CC(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
MolPort-019-937-555 0.82 CC(C)CC(=O)OC1CC(C=O)=CCC\C(CO)=C\C2OC(=O)C(=C)C12
MolPort-019-937-557 0.82 CCC(C)C(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
MolPort-021-804-824 0.81 C\C1=C/C2OC(=O)C(=C)C2C(O)C\C(CO)=C\CC1
MolPort-046-158-474 0.81 C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C1
MolPort-039-338-614 0.81 C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1
MolPort-002-911-074 0.81 CC(=O)OC12CCC(=O)C=C1CCC1C3CCC(=O)C3(C)CCC21
MolPort-004-963-698 0.81 CC(C)(C)C(=O)OCC1=CC(=O)[C@@H]2C[C@H]1C2(C)C
MolPort-046-676-753 0.81 O=C1OC(=O)C2=CCCCC12
MolPort-023-221-547 0.81 CC12CCCC=C1C(=O)OC2=O
MCULE-1159348886 0.81 C1=C(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
MCULE-4824360118 0.81 C12(OC(=O)C)CCC(=O)C=C1CCC1C3CCC(=O)C3(CCC21)C
MCULE-9952768892 0.81 C1(=O)CC2C(C(=C1)COC(=O)C)(C)CCC(C)C2(CCC(CC(O)=O)C)C
MCULE-8873828930 0.81 C1=CC2(C)CCC3C(=C)C(=O)OC3C2=C(C)C1=O
MCULE-6089943254 0.81 C1(=O)O[C@H](C)CCCC=C[C@@]2([H])CC(=O)C[C@]2([H])[C@@H](O)C=C1
MolPort-001-742-676 0.81 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O
MolPort-038-386-730 0.81 C[C@@H]1CCC\C=C\[C@H]2CC(=O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1
MolPort-020-005-698 0.80 C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C)=C\[C@@H](O)C1
MolPort-004-964-842 0.80 CCCCC1OC(=O)C2=CCCCC12
MolPort-046-158-543 0.80 CC1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12
MolPort-001-742-574 0.80 CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1
MCULE-1566350070 0.80 C1=C(C)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@@H]1O
MCULE-6440147345 0.80 O1C(C2=CCCCC2C1CCCC)=O
MCULE-5751414985 0.80 [C@@H]12OC(C(=C)[C@@H]1CC([C@@]1(C)CCCC(C)=C21)=O)=O
MCULE-8302542414 0.80 C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)OC(C)=O)[H]
MCULE-4827912965 0.80 CC/C(=C/C(=O)O[C@H]1C(=C)[C@@]2(CC(=O)/C(=C\C)/[C@@]2([H])[C@H](C(C)C)C1)[H])/C
MCULE-4827454681 0.80 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O
MCULE-9817372120 0.80 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)=O
MCULE-1216188840 0.80 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2=C1)=O
MolPort-001-740-663 0.80 CC1CC(O)C2C(OC(=O)C2=C)C2=C(C)C(=O)CC12
MolPort-044-545-969 0.79 C[C@H]1[C@@H]2CCC(C)=C[C@@H]2OC1=O
MolPort-039-052-392 0.79 C\C(=C/CO)C(=O)O[C@H]1C\C(C)=C/C[C@H](O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
MolPort-039-052-722 0.79 C\C=C(\C)C(=O)O[C@@H]1C\C(=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12)C(O)=O
MolPort-042-675-367 0.79 C\C(=C/CO)C(=O)OC1C\C(C)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
MolPort-021-804-785 0.79 CC1CC\C=C(C)\CC2OC(=O)C(C)=C2CC1=O
MCULE-3709898565 0.79 C1C=C(C)CC(OC(=O)/C(/C)=C/CO)C2C(=C)C(=O)OC2C=C(CO)C1
MCULE-3037222806 0.79 C1=C(C(=O)O)C[C@@H](OC(=O)/C(=C\C)/C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
MCULE-6799888455 0.79 C1C=C(C)CC2OC(=O)C(C)=C2CC(=O)C(C)C1
MCULE-1089229934 0.79 C/C=C(/C(O[C@H]1[C@H]2C(C(O[C@@H]2C=C(C)[C@@H](O)C[C@H]2O[C@]2(C)C1)=O)=C)=O)\C
MCULE-6443674630 0.79 C1=CC2C3C(COC(=O)C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
MCULE-7326161622 0.79 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(CO)=O
MolPort-001-742-445 0.78 CC(=O)O[C@@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)C2[C@H](OC(=O)C2=C)\C=C1\C
MolPort-039-339-219 0.78 CC(=O)OC\C1=C\C[C@H](OC(C)=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)C(\C)=C\CO
MolPort-001-740-199 0.78 CC(=O)O[C@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C
MolPort-046-158-459 0.78 C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C\C(C)=C\CC1)OC(=O)C(\CO)=C\CO
MolPort-039-339-218 0.78 CC(=O)OC\C1=C\C[C@H](OC(C)=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(\C)=C\CO
MolPort-006-668-351 0.78 CC1=C2C3OC(=O)C(=C)C3C(O)CC2(C)CCC1
MolPort-046-792-816 0.78 C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC(O)C(C)(C)O)C(O)=O
MolPort-046-627-212 0.78 CCC(C)C(=O)OC1C\C(COC(C)=O)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
MolPort-005-945-282 0.78 CC(=O)OC\C(CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
MolPort-044-724-399 0.78 CC1CCC=C2C1C(=O)OC2=O.CC1CCCC2=C1C(=O)OC2=O
MCULE-8569314397 0.78 O=C(C(=CCO)C)O[C@H]1[C@]2(C(C(=O)O[C@]2([H])C=C(C)[C@@H](OC(=O)C)CC=C(COC(=O)C)C1)=C)[H]
MCULE-2930807712 0.78 C1[C@H](OC(=O)C)C(C)=C[C@@]2([H])OC(=O)C([C@]2([H])[C@H](OC(/C(/C)=C/CO)=O)CC(COC(=O)C)=C1)=C
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