SANC00518 20(29)-Lupene-3β-isoferulate




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-035-706-380 0.93 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\C6=CC(O)=C(O)C=C6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MCULE-3645261393 0.92 C12(C)CCC(CC1OC(=O)/C=C/C1C=CC(=C(OC)C=1)O)C2(C)C
MolPort-001-742-377 0.92 COC1=CC(\C=C\C(=O)OC2CC3CCC2(C)C3(C)C)=CC=C1O
MolPort-002-530-487 0.91 COC1=CC=C(\C=C\C(=O)OC[C@]23CC[C@H]([C@H]2C2CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\C6=CC=C(OC)C=C6)C(C)(C)C5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)C=C1
MolPort-000-737-656 0.91 COC1=CC=C(\C=C\C(=O)OCC23CCC(C2C2CCC4C5(C)CCC(O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)C=C1
MolPort-002-527-982 0.91 COC1=CC=C(\C=C\C(=O)OC[C@]23CC[C@H]([C@H]2C2CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)C=C1
MolPort-000-756-898 0.91 COC1=CC=C(\C=C\C(=O)OCC23CCC(C2C2CCC4[C@@]5(C)CCC(OC(=O)\C=C\C6=CC=C(OC)C=C6)C(C)(C)C5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)C=C1
MolPort-046-596-361 0.91 COC1=CC=C(\C=C\C(=O)OCC23CCC(C2C2CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)C=C1
MolPort-039-052-560 0.91 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\C6=CC(O)=C(O)C=C6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MCULE-7448324880 0.91 C12C(C(=C)C)CCC1(COC(=O)C=CC1C=CC(OC)=CC=1)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)O
MCULE-1819544438 0.91 CC(C1C2(C)CCC34CC53CCC(OC(C=CC3C=CC(O)=C(OC)C=3)=O)C(C)(C)C5CCC4C2(C)CC1)CC/C=C(\C)/C
MolPort-020-005-667 0.91 COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2CC[C@]34CC33CC[C@]5(C)[C@H](CC[C@@]5(C)C3CCC4C2(C)C)C(C)CCC=C(C)C)=C1
MolPort-038-941-800 0.91 COC1=CC(\C=C\C(=O)O[C@H]2CC[C@]34CC33CC[C@]5(C)[C@H](CC[C@@]5(C)C3CCC4C2(C)C)[C@H](C)CCC=C(C)C)=CC=C1O
MolPort-046-701-409 0.91 COC1=C(O)C=CC(C=CC(=O)O[C@H]2CC[C@]34CC33CC[C@]5(C)[C@H](CC[C@@]5(C)C3CCC4C2(C)C)[C@H](C)CCC=C(C)C)=C1
MolPort-046-033-577 0.91 COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2CC[C@]34C[C@]33CC[C@]5(C)[C@H](CC[C@@]5(C)[C@@H]3CC[C@H]4C2(C)C)[C@H](C)CCC=C(C)C)=C1
MolPort-046-682-171 0.91 COC1=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCC=C(C)C)=CC=C1O
MolPort-044-278-546 0.90 COC1=CC=C(C=CC(=O)OC2CCC(CC2)C(C)(C)C)C=C1OC
MCULE-5685931548 0.90 COC1=C(OC)C=C(C=CC(OC2CCC(C(C)(C)C)CC2)=O)C=C1
MolPort-035-683-143 0.89 CCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC(OC)=C(O)C=C1
MolPort-000-165-442 0.89 CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC(OC)=C(O)C=C1
MolPort-023-298-977 0.89 CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC(OC)=C(O)C=C1
MolPort-001-742-211 0.89 CCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC=C(O)C(OC)=C1
MCULE-8929078677 0.89 C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCOC(=O)/C=C/C1C=C(OC)C(O)=CC=1
MCULE-1514237588 0.89 C(OCCCCCCCCCCCCCCCCCCCCCCCCCC)(=O)/C=C/C1=CC=C(O)C(OC)=C1
MCULE-3236344932 0.89 C(CCCCCCCC)CCCCCCCCCCCOC(=O)/C=C/C1C=C(OC)C(O)=CC=1
MolPort-046-158-500 0.87 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\C6=CC(O)=C(O)C=C6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-044-278-557 0.86 COC1=CC(C=CC(=O)OC2CCC(CC2)C(C)(C)C)=CC(OC)=C1OC
MCULE-3857403683 0.86 COC1=C(OC)C(OC)=CC(C=CC(OC2CCC(C(C)(C)C)CC2)=O)=C1
MolPort-035-706-379 0.85 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-039-063-519 0.85 CCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC(O)=C(O)C=C1
MolPort-009-497-345 0.85 COC1=CC(C=CC(=O)OC2CCCCC2)=CC(OC)=C1OC
MolPort-001-768-875 0.85 CCCCC(CC)COC(=O)\C=C\C1=CC=C(OC)C=C1
MolPort-023-298-972 0.85 CCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC(O)=C(O)C=C1
MolPort-046-763-153 0.85 [2H]C([2H])([2H])OC1=CC=C(\C=C\C(=O)OCC(CC)CCCC)C=C1
MCULE-9000275415 0.85 COC1=C(OC)C(OC)=CC(C=CC(OC2CCCCC2)=O)=C1
MCULE-4433481769 0.85 C1C=C(/C=C/C(=O)OCC(CCCC)CC)C=CC=1OC
MCULE-6787528773 0.85 C(OCC(CCCC)CC)(=O)C=CC1=CC=C(OC)C=C1
MCULE-2454886969 0.85 C1(O)C=C(/C=C/C(OCCCCCCCCCCCCCCCCCC)=O)C=CC=1O
MCULE-3489677351 0.85 C(=CC1C=CC(OC)=CC=1)C(OCCCCCCCCCCCCCCCC)=O
MCULE-8914274512 0.85 C(CCCCCCCCCC)CCCCCCCCCCCOC(=O)/C=C/C1C=C(O)C(O)=CC=1
MolPort-000-762-687 0.84 CC(=O)OC[C@]12CC[C@H](C1C1CCC3[C@@]4(C)CC[C@H](OC(=O)\C=C\C5=CC=C(OC(C)=O)C(OC(C)=O)=C5)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MCULE-3389166738 0.84 [C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C=CC1=CC=C(C(OC)=C1)OC
MCULE-4333230989 0.84 [C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C=CC3C=CC(=C(OC)C=3)OC)C1CC[C@]2([H])[C@H](C)CCCC(C)C
MolPort-009-649-049 0.83 COC1=CC=C(\C=C\C(=O)O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C=C1OC
MolPort-002-508-493 0.83 CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C\C1=CC=C(OC)C(OC)=C1
MolPort-046-597-764 0.83 COC1=CC=C(\C=C\C(=O)O[C@H]2CC[C@]3(C)C4CC[C@]5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)C=C1OC
MolPort-046-764-814 0.83 COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](CC[C@@H]5[C@@H]4CC=C3C2)C(C)CC[C@@H](C)C(C)C)=C1
MolPort-046-691-606 0.83 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)\C=C\C1=CC(OC)=C(O)C=C1)C(C)C
MolPort-046-764-815 0.83 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)\C=C\C1=CC(OC)=C(O)C=C1)C(C)C
MolPort-039-338-280 0.83 C[C@@]1(O)CC[C@H]2[C@@](C)(COC(=O)\C=C\C3=CC=C(O)C=C3)CCC[C@]2(C)[C@H]1CCC(=C)C=C
MCULE-4032499796 0.83 C1C[C@]2(C)[C@@]([H])(CCC(C=C)=C)[C@](C)(O)CC[C@@]2([H])[C@@](C)(COC(=O)/C=C/C2C=CC(O)=CC=2)C1
MCULE-9475456640 0.82 COC1=C(OC)C=C(C=CC(OC2C(=O)CCCC2)=O)C=C1
MolPort-044-212-299 0.82 COC1=CC=C(C=CC(=O)OC2CCCCC2=O)C=C1OC
MolPort-035-706-108 0.81 CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)\C=C\C1=CC=C(O)C=C1
MCULE-9005132679 0.81 C1[C@]2(C(C)(C)[C@]([H])(C[C@H]2OC(=O)/C=C/C2C=CC(O)=CC=2)C1)C
MCULE-9514321609 0.80 C1C(=CC(O)=C(C=1)OC)/C=C/C(=O)OC1C(O)CC(C(=O)O)(O)CC1O
MolPort-005-944-613 0.80 COC1=C(O)C=C(\C=C\C(=O)OC2C(O)CC(O)(CC2O)C(O)=O)C=C1
MolPort-039-063-543 0.79 CCCCCCCCCCCCCCCCCCOC(=O)\C=C\C1=CC=C(O)C=C1
MCULE-9094115086 0.79 C(C)(=O)OC1C(=CC2C=CC(OC)=CC=2)CC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2(C1)[H]
MolPort-039-063-547 0.79 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\C6=CC(O)=C(O)C=C6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-039-338-802 0.78 COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2[C@H](O)C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)=C1
MolPort-044-213-165 0.78 COC1=CC(C=CC(=O)OC2CCCCC2=O)=CC(OC)=C1OC
MolPort-000-792-704 0.78 CC(=C)C1CCC2(COC(=O)\C=C\C3=CC=CC=C3)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12
MolPort-000-772-436 0.78 CC(=C)C1CCC2(COC(=O)\C=C\C3=CC=CC=C3)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)\C=C\C6=CC=CC=C6)C(C)(C)C5CC[C@@]34C)C12
MolPort-002-511-960 0.78 CC(=C)C1CCC2(COC(=O)\C=C\C3=CC=CC=C3)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MCULE-5548184832 0.78 COC1=C(OC)C(OC)=CC(C=CC(OC2C(=O)CCCC2)=O)=C1
MCULE-9466246282 0.78 C12(COC(=O)C=CC3=CC=CC=C3)CCC(C(=C)C)C1C1CCC3C4(C)CCC(OC(=O)C=CC5C=CC=CC=5)C(C)(C)C4CCC3(C)C1(CC2)C
MCULE-4818243200 0.78 C12C(C(=C)C)CCC1(COC(=O)C=CC1=CC=CC=C1)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)O
MCULE-1639909332 0.78 COC1=C(O)C=CC(C=CC(OCC(OC2C(C(C)C)CCC(C)C2)=O)=O)=C1
MCULE-5563428797 0.78 COC1=CC=C(C=CC(OCCC(C)C)=O)C=C1
MCULE-5856998231 0.78 COC1=CC=C(C=CC(OC2C(=O)CCCC2)=O)C=C1
MolPort-044-377-302 0.78 COC1=CC(C=CC(=O)OCC(=O)OC2CC(C)CCC2C(C)C)=CC=C1O
MolPort-002-140-550 0.78 COC1=CC=C(\C=C\C(=O)OCCC(C)C)C=C1
MolPort-023-132-867 0.78 COC1=CC=C(C=CC(=O)OCCC(C)C)C=C1
MolPort-044-216-058 0.78 COC1=CC=C(C=CC(=O)OC2CCCCC2=O)C=C1
MolPort-039-052-416 0.77 COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3C=C[C@]35OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)C36)CC[C@@]45C)C2(C)C)=C1
MolPort-044-183-416 0.77 COC1=C(O)C=CC(\C=C\COC(=O)CCCC\C=C\C(C)C)=C1
MolPort-023-179-842 0.77 CCOC1=CC=C(C=CC(=O)OC2(CC2)C2CC2)C=C1
MolPort-019-936-817 0.77 COC1=CC(\C=C\C(=O)O[C@H]2[C@H](O)C[C@@](O)(C[C@H]2O)C(O)=O)=CC=C1O
MolPort-046-158-411 0.77 COC(=O)[C@@]1(O)C[C@@H](O)[C@H](OC(=O)\C=C\C2=CC=C(O)C(OC)=C2)[C@H](O)C1
MCULE-4848323725 0.77 CCOC1=CC=C(C=CC(OC2(C3CC3)CC2)=O)C=C1
MCULE-9650359988 0.77 C1C=C(C=C(C=1O)OC)/C=C/C(=O)O[C@H]1[C@H](O)C[C@](O)(C(O)=O)C[C@H]1O
MCULE-5036325620 0.77 COC1=C(OC)C=C(C=CC(OCC(C(C)(C)C)=O)=O)C=C1
MolPort-044-212-298 0.77 COC1=CC=C(C=CC(=O)OCC(=O)C(C)(C)C)C=C1OC
MolPort-044-227-583 0.76 COC1=CC(C=CC(=O)OCC(=O)C(C)(C)C)=CC=C1O
MCULE-4121085614 0.76 COC1=C(O)C=CC(C=CC(OCC(C(C)(C)C)=O)=O)=C1
MCULE-3504325811 0.76 C(=CC1=CC=C(C(OC)=C1)OCCCCCC)C(OCC)=O
MCULE-1904758351 0.76 C(OC(C)C)(=O)C=CC1=CC=C(C(OC)=C1)OCCCCCC
MolPort-028-570-660 0.76 O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)C=CC1=CC=C2OCOC2=C1
MolPort-028-570-661 0.76 CC(OC(=O)C=CC1=CC=C2OCOC2=C1)C(=O)C12CC3CC(CC(C3)C1)C2
MolPort-027-853-660 0.75 COC1=C(O)C=C(\C=C\C(=O)O[C@H]2[C@H](O)C[C@@](O)(C[C@H]2OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C(O)=O)C=C1
MolPort-044-408-808 0.75 COC1=CC(C=CC(=O)OCC(=O)OC2CC(C)CCC2C(C)C)=CC(OC)=C1OC
MCULE-9610575381 0.75 C1[C@](C(=O)O)(O)C[C@@H](O)[C@H](OC(=O)/C=C/C2=CC(O)=C(OC)C=C2)[C@@H]1OC(=O)/C=C/C1=CC(=C(C=C1)O)O
MCULE-4362142668 0.75 COC1=C(OC)C(OC)=CC(C=CC(OCC(OC2C(C(C)C)CCC(C)C2)=O)=O)=C1
MCULE-3361523073 0.75 O=C(O)[C@]1(C[C@@H](O)[C@H](CC(=O)C=CC2C=C(O)C(O)=CC=2)[C@H](OC(=O)C=CC2C=C(O)C(O)=CC=2)C1)C
MCULE-7383875383 0.75 C(=C/C1=CC=C(C=C1)O)(\C(OCCCCCCCCCC=C)=O)/C(OCCCCCCCCCC=C)=O
MolPort-044-275-415 0.75 FC(F)OC1=CC=C(C=CC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)C=C1
MolPort-023-331-239 0.75 C[C@@]1(C[C@@H](O)[C@H](CC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H](C1)OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O
MolPort-039-338-681 0.74 COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\C1=CC=C(O)C(OC)=C1
MolPort-001-740-625 0.74 COC1=CC(\C=C\C(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(O)=O)=CC=C1O
MolPort-039-338-682 0.74 COC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](C1)OC(=O)\C=C\C1=CC(OC)=C(O)C=C1
MolPort-001-740-183 0.74 COC1=CC(\C=C\C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2O)C(O)=O)=CC=C1O
MolPort-002-551-646 0.74 CCCCCCCCCCOC(=O)C(=C/C1=CC=C(OC)C=C1)\C#N
MolPort-044-212-109 0.74 C=CCOC1=CC=C(C=CC(=O)OC2CCCCC2=O)C=C1
MolPort-008-157-830 0.74 C[C@]12CCC3C(CC[C@H]4CCCC[C@]34C)C1CCC2OC(=O)\C=C\C1=CC=CC=C1
MolPort-035-682-954 0.74 CCOC(=O)\C=C\C1=CC(O)=C(OC)C=C1
MolPort-035-706-396 0.74 CC1(C)CC[C@@]2(CC[C@]3(COC(=O)\C=C\C4=CC=C(O)C(O)=C4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-706-397 0.74 CC1(C)CC[C@@]2(CC[C@]3(COC(=O)\C=C\C4=CC=C(O)C(O)=C4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\C6=CC(O)=C(O)C=C6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MCULE-4650415194 0.74 C1[C@@](C(O)=O)(C[C@H]([C@@H]([C@@H]1O)O)OC(=O)/C=C/C1C=C(OC)C(O)=CC=1)O
MCULE-2354679869 0.74 C1[C@@](O)(C(OC)=O)C[C@@H](OC(=O)/C=C/C2C=C(OC)C(O)=CC=2)[C@H](O)[C@@H]1O
MCULE-4850783882 0.74 C1[C@@](O)(C(OC)=O)C[C@@H](O)[C@H](O)[C@@H]1OC(=O)/C=C/C1C=CC(O)=C(OC)C=1
MCULE-1441791124 0.74 C1[C@@](C(O)=O)(C[C@H]([C@@H]([C@@H]1OC(/C=C/C1C=C(OC)C(O)=CC=1)=O)O)O)O
MCULE-8538730161 0.74 O=C(OCC(CC)CCCC)C(C#N)=CC1C=CC(OC)=CC=1
MCULE-1783535798 0.74 C(C#N)(=CC1=CC=C(C=C1)OC)C(OCCCCCCCCCC)=O
MCULE-6949755830 0.74 C=CCOC1=CC=C(C=CC(OC2C(=O)CCCC2)=O)C=C1
MCULE-8291716022 0.74 C1(O)C=C(/C=C/C(=O)OCC)C=CC=1OC
MCULE-1276820530 0.74 C12(C)CCC3C4(CCCCC4(CCC3C1CCC2OC(=O)C=CC1C=CC=CC=1)[H])C
MCULE-4959928632 0.74 C(=CC1=CC=C(C(OC)=C1)OCCCCCC)C(OC)=O
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