SANC00983 Oleonolic acid



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Analog ID Similarity score SMILES

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Mcule | MolPort | All | None
MolPort-044-724-154 1 CCCCCC=CCC=CCCCCCCCC(O)=O
MolPort-046-683-522 1 CCCCC\C=C\C\C=C\C\C=C\C\C=C/CCCCCC(O)=O
MolPort-003-941-054 1 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-003-940-987 1 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-001-780-227 1 CCCCC\C=C\C\C=C\CCCCCCCC(O)=O
MolPort-001-788-459 1 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
MolPort-003-937-817 1 CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
MolPort-003-933-184 1 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
MolPort-044-724-154 1 CCCCCC=CCC=CCCCCCCCC(O)=O
MolPort-027-641-365 1 [2H]\C(CCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCCCCC(O)=O
MolPort-046-683-522 1 CCCCC\C=C\C\C=C\C\C=C\C\C=C/CCCCCC(O)=O
MolPort-006-113-817 1 CCC=CCC=CCC=CCCCCCCCC(O)=O
MolPort-001-740-230 1 CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O
MolPort-009-018-939 1 [2H]C([2H])([2H])C([2H])([2H])\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-035-882-164 1 CCCCC\C=C/C\C=C/CCCCCCCCCCCC(O)=O
MolPort-044-727-764 1 CCCCC\C=C/C\C=C/CCCCCCCCCCC(O)=O
MolPort-003-941-261 1 CCCCC\C=C\C\C=C\CCCCCCCCCC(O)=O
MolPort-044-727-764 1 CCCCC\C=C/C\C=C/CCCCCCCCCCC(O)=O
MolPort-027-641-365 1 [2H]\C(CCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCCCCC(O)=O
MolPort-035-882-164 1 CCCCC\C=C/C\C=C/CCCCCCCCCCCC(O)=O
MCULE-8045386580 1 C1(=O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CCC(C1)(C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
MCULE-5111117747 1 C[C@H]1[C@H](C)[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
MCULE-3143886740 1 C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-9335086572 1 CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
MCULE-6888052424 1 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-6217200752 1 O=C(O)[C@]12[C@@](C3=CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])([H])[C@@H](C)[C@H](C)CC2
MCULE-1308336736 1 C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C(C(O)CC[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)C(C)C21)C(O)=O)[H]
MCULE-9474095410 1 [C@@H]1(O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@H]([C@@H]1C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
MCULE-7088367969 1 [C@@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@H](O)C2(C)C)[H])C(O)=O
MCULE-6367656540 1 C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O)[H]
MCULE-5064546197 1 [C@H]1(C)[C@H](C)[C@@]2([H])C3=CC[C@@]4([C@@]5(C)CCC(C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1)=O)[H]
MCULE-7633761938 0.97 C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
MCULE-1067283755 0.97 C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-2675118265 0.97 C1[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CCC1(C)C
MCULE-3614931522 0.97 CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2(C([C@]4([C@](CC2)(C(=O)O)CC[C@@H](C)[C@@H]4C)[H])=CC3)C)[H])(C)C[C@@H](O)[C@@H]1O)C
MCULE-3800481886 0.97 C1(C)(C)C[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@](CO)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
MCULE-6409888378 0.97 C1[C@]2([H])[C@@](C(O)=O)(CC[C@]3(C)C2=CC[C@@]2([H])[C@@]3(C)CC[C@]3([H])[C@]2(C)CC[C@H](O)[C@]3(CO)C)CCC1(C)C
MCULE-1602610126 0.97 CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
MCULE-2299251979 0.97 C[C@@]12CC[C@@]3([H])C([C@@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C(=O)O)CC[C@@]21C)(C)C
MCULE-9211922250 0.97 C12[C@H]3[C@@](CCC(C)(C)C3)(C(O)=O)CC[C@]1(C)[C@@]1(C)CC[C@@H]3[C@@](C)(CC[C@H](O)[C@@]3(C)CO)[C@H]1CC=2
MCULE-1780641937 0.97 C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C([C@@H](O)[C@H](O)C[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MolPort-046-682-132 0.97 [Na+].CCCCC\C=C\C\C=C\CCCCCCCC([O-])=O
MolPort-046-682-132 0.97 [Na+].CCCCC\C=C\C\C=C\CCCCCCCC([O-])=O
MolPort-044-727-658 0.97 [Na+].CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O
MolPort-003-937-818 0.97 CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-009-018-856 0.97 CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-044-727-658 0.97 [Na+].CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O
MolPort-044-727-656 0.97 [Na+].CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC([O-])=O
MolPort-006-112-444 0.97 [Na+].CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
MolPort-044-561-075 0.97 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-044-727-656 0.97 [Na+].CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC([O-])=O
MolPort-044-561-075 0.97 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
MCULE-3959902732 0.95 OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-7708235386 0.95 OC(C1(CC=CC1)CC1CC=CCC1)=O
MCULE-4023009546 0.95 C([C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@]4(CC[C@H](O)[C@@](C)(C=O)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O)C)(=O)O
MCULE-2374686913 0.95 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(O)=O)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-5624348400 0.95 C1(C(=O)O)CC2C=CC1CC2
MCULE-1939531919 0.95 CC1CC(C(O)=O)(C2C=CCCC2)C1
MCULE-8509022096 0.95 [C@]12(C)[C@@]([H])(CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C(=O)O)(CCC(C)(C)C5)[C@H](O)C4)=CC[C@]13[H])[C@](C)(C=O)[C@@H](O)CC2
MCULE-6147550234 0.92 [C@@H]1(C[C@@]2([C@@]3([H])CC=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@]([C@H]1O)(C)CO)(C(O)=O)CCC(C)(C)C5)C)O
MCULE-5436553655 0.92 [C@@H]1(O)C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](C(O)=O)(CCC(C)(C)C5)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@](C)(CO)[C@H]1O)[H])C
MCULE-7626806338 0.92 C1CC2(C)C3CC=C4C5C(C)C(C)C(O)CC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-1389326170 0.92 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@@H]1O
MCULE-7925068743 0.92 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@@H]1O
MCULE-1218384038 0.92 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
MCULE-5774214368 0.92 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-4431659207 0.92 C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(C)C1O
MCULE-9693195749 0.92 [C@@H]1(O)C[C@@]2(C3CC=C4C5CC(C)(C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@]([C@@H]1O)(C)CO)C
MCULE-1974040943 0.92 C12=CC[C@]3([C@@](C)(CC[C@]4([H])[C@]3(C)C[C@@H](O)[C@@H]([C@@]4(C)CO)O)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-5686534690 0.92 C12=CCC3C(C)(CCC4C3(C)CC(O)C(C4(C)CO)O)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O
MolPort-003-873-328 0.92 C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
MolPort-046-153-807 0.92 C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MolPort-001-742-404 0.92 C[C@@]1(CCC2C(CCC3C2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
MolPort-008-427-020 0.92 CC1(CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1)C=C
MolPort-046-153-807 0.92 C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MolPort-006-668-475 0.92 CC1(CCC2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MCULE-3600048668 0.90 [C@@]12(C)C[C@@H](O)[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)C[C@@H]([C@H](O)[C@@]2(C)CO)O)[H])C(O)=O
MCULE-6588005387 0.90 [C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([C@]([C@@H](C[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)([C@H]1O)CO)O)(C(=O)O)CCC(C)(C)C5)[H]
MCULE-3212175174 0.90 C1(C)(CCC(=C(C)C1)C)C(O)=O
MCULE-7688714216 0.90 O=C(O)[C@@]12[C@H](O)C[C@]3(C)C(=CC[C@]4([C@@]3(C)CC[C@]3([H])[C@@]4(C[C@@H]([C@@H](C3(CO)CO)O)O)C)[H])[C@]1([H])CC(C)(C)CC2
MCULE-8879177648 0.90 OC(C1(CC=CCC1)CC1CC=CC1)=O
MCULE-7677256646 0.90 OC(C1(CC=CC1)CC1CCCC=1)=O
MCULE-6601751883 0.90 C1(C)CC(CCC=1C)C(O)=O
MCULE-9625022025 0.90 CC1CCC(C(=O)O)(C)CC=1
MCULE-2451101251 0.90 C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
MCULE-4280394560 0.90 C1C(=O)[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2[C@](C)(CO)[C@H]1O
MCULE-2445591436 0.90 C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
MolPort-001-739-472 0.90 CCCCC\C=C/C\C=C/C(O)CCCCCCC(O)=O
MCULE-6641232569 0.89 CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
MCULE-9038165616 0.89 CC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-5267198059 0.89 OC(C1(CC=CC1)CC1CCCCC1)=O
MCULE-1670830332 0.89 C(C(O)=O)C[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@]1(C(C)=C)[H]
MCULE-8500547238 0.89 CC1CC(C2(C(O)=O)CC=CC2)CCC1
MCULE-4778256781 0.89 C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
MCULE-4851646103 0.89 CC1CCC(C2(C(O)=O)CC=CC2)CC1
MolPort-003-941-268 0.89 CCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-003-849-687 0.89 CCCCCCCCC=CCCCCCCCC(O)=O
MolPort-001-739-604 0.89 CC(C)CCCCCC\C=C/CCCCC(O)=O
MolPort-001-780-043 0.89 CCCCCCCC\C=C\CCCCCCCCCCCC(O)=O
MolPort-044-727-744 0.89 CCCCCC\C=C\CCCCCCCCC(O)=O
MolPort-009-019-234 0.89 CCCCC\C=C/CCCCCCCCCCCCC(O)=O
MolPort-009-019-440 0.89 CCCCC\C=C/CCCC\C=C/CCCCCCC(O)=O
MolPort-003-959-025 0.89 CCCCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-046-426-229 0.89 CCCCCCCCCCC\C=C/CCCCCCC(O)=O
MolPort-009-019-050 0.89 CCCCCCCC\C=C/CCCCCC(O)=O
MolPort-006-112-294 0.89 CCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-003-925-831 0.89 CCCCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-046-426-181 0.89 CCCCCCCCCCC\C=C\CCCCC(O)=O
MolPort-044-727-743 0.89 CCCC\C=C\CCCCCCCCC(O)=O
MolPort-003-939-503 0.89 CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
MolPort-021-804-454 0.89 CCC(C)CCCCC\C=C/CCCCC(O)=O
MolPort-003-959-881 0.89 CCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-035-882-134 0.89 CCCC\C=C/CCCCCCCCC(O)=O
MolPort-001-788-274 0.89 CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-039-010-546 0.89 OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
MolPort-003-941-733 0.89 CCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-046-763-123 0.89 CCCC\C=C/CCCCCCCCCC(O)=O
MolPort-003-933-468 0.89 CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-003-933-186 0.89 CCCCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-027-641-391 0.89 [2H]\C(CCCCCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCC(O)=O
MolPort-000-882-023 0.89 CCCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-023-332-220 0.89 OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-028-747-803 0.89 CCCCCCC=CCCCCCCCC(O)=O
MolPort-028-747-855 0.89 CCCCCCCCC=CCCCCCCCCCCCC(O)=O
MolPort-046-763-123 0.89 CCCC\C=C/CCCCCCCCCC(O)=O
MolPort-027-641-391 0.89 [2H]\C(CCCCCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCC(O)=O
MolPort-009-018-831 0.89 OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
MolPort-021-804-454 0.89 CCC(C)CCCCC\C=C/CCCCC(O)=O
MolPort-028-747-803 0.89 CCCCCCC=CCCCCCCCC(O)=O
MolPort-046-426-181 0.89 CCCCCCCCCCC\C=C\CCCCC(O)=O
MolPort-044-727-743 0.89 CCCC\C=C\CCCCCCCCC(O)=O
MolPort-044-727-744 0.89 CCCCCC\C=C\CCCCCCCCC(O)=O
MolPort-039-010-546 0.89 OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
MolPort-035-882-134 0.89 CCCC\C=C/CCCCCCCCC(O)=O
MolPort-046-426-229 0.89 CCCCCCCCCCC\C=C/CCCCCCC(O)=O
MolPort-003-959-363 0.89 CCCCCCCCCCC\C=C/CCCCC(O)=O
MolPort-006-169-615 0.89 CCCCCC\C=C\CCCCCCCC(O)=O
MolPort-023-332-220 0.89 OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-028-747-855 0.89 CCCCCCCCC=CCCCCCCCCCCCC(O)=O
MolPort-003-958-711 0.89 CCCC\C=C/CCCCCCCC(O)=O
MolPort-001-740-137 0.89 CCCCCC\C=C/CCCCCCCC(O)=O
MolPort-003-958-761 0.89 CCCC\C=C\CCCCCCCC(O)=O
MCULE-2570487264 0.88 OC(C1C2C=CC(C2)C1)=O
MCULE-3171016035 0.88 C1CCC2C(C(O)=O)C2C=CC1
MCULE-6672254923 0.88 C(=O)(O)C(C)(C)C1CC[C@@]2(C(CC=C3[C@]4([H])[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC[C@@]23C)[C@@]1(C)CC(=O)O)C
MCULE-2496014695 0.88 C1(C)(C(O)=O)C2CCCCC2=C2C(CCCC2)C1C(O)=O
MCULE-9700928997 0.88 C12CCCCC1C(C(O)=O)C(C1CCCCC=21)C(O)=O
MCULE-3885425015 0.88 [C@H]1(C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](CC[C@@]4(C)[C@]3(C)C[C@H]([C@@]2([H])[C@](CO)([C@H]1O)C)O)(C(=O)O)CC[C@@H](C)[C@@H]5C)[H])C)O
MCULE-5286515274 0.88 C1C(C(C)(C(=O)O)C(=O)O)C=CCC1
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