SANC01075 Centratherin




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-001-742-637 0.99 CC(=O)OC\C=C(/C)C(=O)OC1CC2(C)OC(=CC2=O)\C(C)=C\C2OC(=O)C(=C)C12
MCULE-5237383818 0.99 C1C(=O)C2(OC=1C(=CC1OC(C(C1C(C2)OC(=O)/C(/C)=C/COC(=O)C)=C)=O)C)C
MCULE-9306210645 0.84 C1C(=O)C2(OC=1C(=C)CC1OC(=O)C(=C)C1C(OC(=O)/C(=C/C)/C)C2)C
MCULE-8236861618 0.84 C1C(=O)C2(OC=1C(=C)CC1OC(=O)C(=C)C1C(OC(=O)/C(=C\C)/C)C2)C
MolPort-021-804-796 0.84 C\C=C(/C)C(=O)OC1CC2(C)OC(=CC2=O)C(=C)CC2OC(=O)C(=C)C12
MolPort-021-804-539 0.84 C\C=C(\C)C(=O)OC1CC2(C)OC(=CC2=O)C(=C)CC2OC(=O)C(=C)C12
MCULE-1153383357 0.83 C1C(=O)C2(OC=1C(=C)CC1OC(=O)C(COC)C1C(OC(=O)/C(=C\C)/C)C2)C
MolPort-021-804-797 0.83 COCC1C2C(CC(=C)C3=CC(=O)C(C)(CC2OC(=O)C(\C)=C/C)O3)OC1=O
MCULE-2917652310 0.81 C1C(=O)C2(OC=1C(=C)CC1OC(=O)C(=C)C1C(OC(=O)C(=C)C)C2)C
MCULE-8774881490 0.81 C1C(=O)C2(OC=1C(=C)CC1OC(=O)C(COC)C1C(OC(=O)C(=C)C)C2)C
MolPort-021-804-795 0.81 CC(=C)C(=O)OC1CC2(C)OC(=CC2=O)C(=C)CC2OC(=O)C(=C)C12
MolPort-021-804-538 0.81 COCC1C2C(CC(=C)C3=CC(=O)C(C)(CC2OC(=O)C(C)=C)O3)OC1=O
MCULE-4218513342 0.73 C123COC4(C(=O)C51OC1(C)C(CC5(C)C4=O)C2(C(C=C2C(C)(C)OC(=O)C=C12)OC3=O)C)C
MolPort-046-697-321 0.73 CC12CC3C4(C)C5OC(=O)C44COC(C)(C1=O)C(=O)C24OC3(C)C1=CC(=O)OC(C)(C)C1=C5
MolPort-019-937-184 0.71 CC(C)CC(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
MolPort-019-937-555 0.71 CC(C)CC(=O)OC1CC(C=O)=CCC\C(CO)=C\C2OC(=O)C(=C)C12
MolPort-019-937-557 0.71 CCC(C)C(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
MCULE-3709898565 0.70 C1C=C(C)CC(OC(=O)/C(/C)=C/CO)C2C(=C)C(=O)OC2C=C(CO)C1
MCULE-1089229934 0.70 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-4058521866 0.70 C1=CC2[C@@](C[C@@](O)(C(CO)=C)C(=O)C=2)(C)[C@@H](C)[C@H]1OC(=O)/C=C/C=C/[C@H](C)CC
MCULE-5527954946 0.70 O=C(/C(=C/CO)/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-8569314397 0.70 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-7618445658 0.70 C1C=C(C)C[C@H]([C@H]2C(=C)C(O[C@@H]2C=C(C)[C@H]1OC(=O)C)=O)OC(=O)/C(/CO)=C/CO
MCULE-2930807712 0.70 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
MCULE-6308988715 0.70 [C@@H]1(OC(=O)/C(/C)=C/CO)[C@H]([C@H](C=C(C1=O)CO)OC(=O)/C(/C)=C\C)C(C)C
MolPort-039-339-157 0.70 CCC\C=C1/OC(=O)C2=C[C@H]3CC[C@@]12[C@]1(OC(=O)C2=C1CCC=C2)[C@@H]3CCC
MolPort-001-742-581 0.70 C\C=C(\C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)C(\C)=C\CO)[C@H]1C(C)C
MolPort-001-740-199 0.70 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-001-742-445 0.70 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 0.70 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-046-158-459 0.70 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 0.70 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-046-697-234 0.70 CC[C@@H](C)\C=C\C=C\C(=O)O[C@H]1C=CC2=CC(=O)[C@@](O)(C[C@]2(C)[C@H]1C)C(=C)CO
MolPort-042-675-367 0.70 C\C(=C/CO)C(=O)OC1C\C(C)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
MolPort-039-052-392 0.70 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
MCULE-2217396581 0.69 C1CC(C(C2=C1/C(=C/CCC)/OC2=O)O)O
MCULE-8835525650 0.69 O=C1C2[C@@H]([C@@H](CCC=2C(=CCCC)O1)O)O
MCULE-3827217620 0.69 C1CC2/C(=C/CCC)/OC(=O)C=2[C@H](O)[C@H]1O
MCULE-7640636779 0.69 [C@H]1(CCC)[C@]2(C3CCC=CC=3C(=O)O2)[C@@]23CC[C@]1([H])C=C2C(=O)O/C/3=C\CCC
MCULE-6284584359 0.69 O=C1C2[C@H]([C@@H](CCC=2C(=CCCC)O1)O)O
MCULE-4377570370 0.69 CCCC=C1OC(=O)C2C(O)C(O)CCC1=2
MCULE-6663461828 0.69 C1C=C(COC(C)=O)CC(OC(=O)C(C)CC)C2C(=C)C(=O)OC2C=C(CO)C1
MCULE-8611327617 0.69 C1C[C@@H]([C@@H](C2=C1/C(=C/CCC)/OC2=O)O)O
MCULE-8364810372 0.69 C1CC(C(C2=C1/C(=C/CCC)/OC2=O)OC)O
MCULE-4351037464 0.69 C1(=O)[C@@](O)(C)C[C@@H]([C@@H]2[C@H](OC(=O)C2=C)C=C(C)C(O)C1)OC(=O)C(C)=C
MCULE-2089176275 0.69 C1C=C(C[C@H](OC(=O)C(CO)=C)[C@@H]2[C@H](OC(=O)C2=C)C=C(CO)C1)C
MCULE-3037222806 0.69 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-7364536785 0.69 C(/C(=C/C)/C)(O[C@H]1C(=O)C(CO)=C[C@H](OC(C)=O)[C@@H]1C(C)C)=O
MolPort-005-945-302 0.69 C\C=C(/C)C(=O)O[C@@H]1[C@@H](C(C)C)[C@@H](OC(C)=O)C=C(CO)C1=O
MolPort-001-740-560 0.69 CCC\C=C1/OC(=O)C2=C1CCC(O)C2O
MolPort-001-741-296 0.69 C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO
MolPort-001-740-994 0.69 CC(=C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)CC(O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
MolPort-027-720-913 0.69 CCC\C=C1/OC(=O)C2=C1CC[C@H](O)[C@H]2O
MolPort-039-052-722 0.69 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-027-720-912 0.69 CCC\C=C1/OC(=O)C2=C1CC[C@H](O)[C@@H]2O
MolPort-044-723-194 0.69 CCC\C=C1/OC(=O)C2=C1CC[C@@H](O)[C@H]2O
MolPort-046-627-212 0.69 CCC(C)C(=O)OC1C\C(COC(C)=O)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
MolPort-046-594-366 0.69 CCCC=C1OC(=O)C2=C1CCC(O)C2O
MCULE-7181833804 0.68 C1C=C(C[C@@H]([C@@H]2[C@H](OC(C2=C)=O)C=C(CO)C1)OC(=O)C(=C)C(CO)O)C
MCULE-9841786738 0.68 [C@@]12([H])C=C(C)[C@H](OC(/C=C/C=C/CCC)=O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]1(OC(C)=O)C[C@@H](C)[C@@H]2O
MCULE-3052348589 0.68 C1(=O)O[C@@H]2[C@@H]([C@@H](CC(C)=CC[C@H](OC(C)=O)C(C)=C2)OC(=O)/C(=C/C)/COC(=O)/C(/CO)=C/C)C1=C
MCULE-3035603698 0.68 C(CC(C)CC)(OC1C(C(CO)=CC(OC(C)=O)C1C(C)C)=O)=O
MCULE-5045812758 0.68 C(=O)(OC1C(C(C=C(C1=O)CO)OC(C)=O)C(C)C)CC(C)C
MCULE-2185195019 0.68 [C@@H]1(OC(C)=O)[C@@H](C(C)C)[C@@H](OC(=O)/C(/C)=C/C)C=C(CO)C1=O
MCULE-9380832184 0.68 C12C(=O)OC(CC(=C[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)/C(=C\C)/C)C1)C)C=2
MCULE-2969817322 0.68 C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
MCULE-5187157844 0.68 C1(=O)O[C@H]2[C@@H]([C@H](CC3=CC(CC(C)=C2)OC3=O)OC(=O)C(C)=C)C1=C
MCULE-7379430730 0.68 C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
MCULE-2804901759 0.68 C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
MCULE-1234424378 0.68 C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
MolPort-001-740-742 0.68 C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO
MolPort-001-742-398 0.68 C\C=C(/CO)C(=O)OC\C(=C/C)C(=O)O[C@@H]1C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12
MolPort-001-742-169 0.68 CCC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
MolPort-005-944-833 0.68 CC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
MolPort-005-945-451 0.68 C\C=C(\C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
MolPort-001-742-567 0.68 CC(=C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
MolPort-001-742-576 0.68 CC(C)C(=O)OCC1=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C
MolPort-001-742-439 0.68 C\C=C(/C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(C)=O)[C@H]1C(C)C
MolPort-039-338-482 0.68 CC1=C2[C@H]3O[C@]33CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C=C2OC1=O
MolPort-039-338-309 0.68 CC(=C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
MolPort-039-338-296 0.68 C\C=C(\C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
MolPort-039-052-716 0.68 CC(=C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
MolPort-039-052-707 0.68 C\C=C(\C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
MolPort-039-101-234 0.68 C\C=C(\CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
MolPort-039-101-233 0.68 C\C=C(/CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
MolPort-046-761-036 0.68 C\C=C(\CO)C(=O)O[C@@H]1C\C(C)=C\[C@@H](O)C\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
MolPort-042-675-333 0.68 CCC\C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](\C=C(C)\C(=O)[C@]3(C[C@@H](C)[C@H](O)[C@@H]3\C=C1/C)OC(C)=O)C2(C)C
MolPort-035-706-238 0.67 CC(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
MolPort-039-101-196 0.67 COC(=O)C(=C/C1=C(C(O)=O)[C@@]23CCCC(C)(C)[C@@H]2[C@H](OC3=O)C1=O)\C(C)C
MolPort-035-765-979 0.67 CCC\C=C\C=C\C(=O)O[C@H]1\C(C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C/C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O)=C\C(=O)OC
MolPort-046-594-392 0.67 CCCC=C1OC(=O)C2=C1CCC1C3CCC4(C21)C(OC(=O)C4=C3)=CCCC
MolPort-028-754-170 0.67 CCC\C=C1/OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4([C@@H]21)\C(OC(=O)C4=C3)=C\CCC
MCULE-7388224086 0.67 C12C(CC(=C(C(C)CCCOC(C)=O)[C@H]1OC(C)=O)COC(C(C)C)=O)OC(=O)C2=C
MCULE-8432569167 0.67 C1(O)C=C(C)CC(OC(=O)/C(/CO)=C/C)C2C(=C)C(=O)OC2C=C(C)C1
MCULE-9072555005 0.67 C1(O)C=C(C)CC(OC(=O)/C(/CO)=C\C)C2C(=C)C(=O)OC2C=C(C)C1
MCULE-4880163290 0.67 C1C[C@]23C(=O)O[C@H](C(=O)C(/C=C(\C(OC)=O)/C(C)C)=C2C(O)=O)[C@@]3([H])C(C)(C)C1
MCULE-3523904494 0.67 C1C(OC(=O)C)C2(C3C(C4C(=O)C(OC)=C(C(C)C(/C(/C)=C/C)OC(=O)C)C(=O)C=4OC3(C)CCC2OC1C(O)(C)C)O)C
MCULE-7960242976 0.67 C1(OC2C3C(CC4C5(OC5)C5=CC(OC(C)(C)C5=CC(=O)C4(C3C1=O)C)=O)(C(=O)O2)C)C
MCULE-7878989239 0.67 C1C(=O)OC(/C=C(\C)/CCCC(C)C2OC(C)(C)C(=O)C=2)CC=1C
MCULE-1338496475 0.67 C1=C(C)C[C@@H](OC(=O)C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
MCULE-8617095272 0.67 C1(=O)O[C@H]2[C@@H]([C@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
MCULE-6232978473 0.67 C1(=O)O[C@H]2[C@@H]([C@@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
MCULE-6504048226 0.67 C1C=C(C)CC(OC(=O)C)C2C(=C)C(=O)OC2C=C(C)C1
MCULE-7587396254 0.67 C1[C@H]2C[C@]3(O)O[C@H](C[C@@H](O)CC(O[C@H](C[C@H]4O[C@](O)([C@@H](OC(=O)C=CC=CCCC)C(=CC(OC)=O)C4)C(C)(C)C=C[C@H](O2)CC1=CC(=O)OC)[C@@H](C)O)=O)C[C@H](OC(=O)C)C3(C)C
MCULE-2449883340 0.67 [C@@]12(O)C(C)(C)C=C[C@@]3([H])CC(C[C@]([H])(O3)C[C@]3(O)O[C@@]([H])(C[C@H](OC(=O)C)C3(C)C)C[C@@H](O)CC(=O)O[C@@]([H])([C@H](O)C)C[C@@]([H])(O1)CC(=CC(=O)OC)[C@@H]2OC(=O)C=CC=CCCC)=CC(=O)OC
MCULE-9300528643 0.67 [C@@]12([H])CCC3/C(=C/CCC)/OC(=O)C=3[C@]1([H])[C@@]13CC[C@]2([H])C=C1C(=O)O/C/3=C\CCC
MCULE-9737044961 0.67 O=C1C2=C[C@@]3([C@@]4(CCC5C(=CCCC)OC(=O)C=5[C@]4([H])[C@]2(CC3)C(=CCCC)O1)[H])[H]
MCULE-4285095655 0.67 CCCC=C1OC(=O)C2C3C45C(=CCCC)OC(=O)C4=CC(CC5)C3CCC1=2
MolPort-038-386-703 0.67 COC1=C(C(C)C(OC(C)=O)C(\C)=C\C)C(=O)C2=C(C(O)C3C(C)(CCC4OC(CC(OC(C)=O)C34C)C(C)(C)O)O2)C1=O
MolPort-035-705-817 0.67 CC(CCC\C(C)=C\C1CC(C)=CC(=O)O1)C1=CC(=O)C(C)(C)O1
MolPort-046-697-371 0.67 C\C=C(/C)C(OC(C)=O)C(C)C1=CC(=O)C2=C(OC3(C)CCC4OC(CC(OC(C)=O)C4(C)C3C2O)C(C)(C)O)C1=O
MolPort-019-937-554 0.67 CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(CO)\CCC=C(C=O)C1O
MolPort-001-739-890 0.67 CC1OC2OC(=O)C3(C)CC4C5(CO5)C5=CC(=O)OC(C)(C)C5=CC(=O)C4(C)C(C23)C1=O
MolPort-001-742-457 0.67 OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C=O)=C/CC1
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