SANC01106 Betulonic acid



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Analog ID Similarity score SMILES

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Mcule | MolPort | All | None
MolPort-039-033-337 1 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-019-997-682 1 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MCULE-5368790248 1 C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-8763282524 1 OC([C@@]12CC[C@@]3(C(O)=O)CCC(C(C)=C)C3[C@@]1([H])CCC1[C@@]2(C)CCC2[C@@]1(CC[C@H](O)C2(C)C)C)=O
MCULE-2275715129 1 C12(C)CCC3(C(C(C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-4487348024 1 [C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-]
MCULE-2871457061 1 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C([C@@H]1O)(C)C)C(O)=O
MCULE-5097841519 1 C1(=O)C([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@@]1([C@@](CC[C@H]1C(C)=C)(C(O)=O)CC3)[H])C)(C)CC2)[H])(C)C
MCULE-2125200193 1 [C@@]12(C)CC[C@]3([C@]([H])([C@H](C(C)=C)CC3)[C@@]1([H])CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)O)CC[C@@]21C)C)C(O)=O
MCULE-9982252588 1 O=C(O)[C@]12[C@]([C@]3(CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])[H])([H])[C@H](C(=C)C)CC2
MCULE-3066570238 1 C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-8322152301 1 CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(C)(C)C(=O)CC2)CC3)=C
MolPort-046-426-986 1 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12)C(O)=O
MolPort-007-980-897 1 CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-002-512-343 1 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-005-945-549 1 CC(=C)[C@@H]1CC[C@@]2(CC[C@@]3([C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O)C(O)=O
MolPort-005-944-788 1 CC(=C)[C@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-002-524-807 1 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-005-944-694 1 CC(=C)C1CC[C@@]2(CC[C@@]3([C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O)C(O)=O
MolPort-001-742-037 1 CC(=C)C1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-003-939-279 1 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-023-276-984 1 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-035-706-378 1 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-042-624-120 1 CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-005-945-582 0.97 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C(O)C[C@@]34C)C12)C(O)=O
MolPort-039-338-114 0.97 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-035-706-376 0.97 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-000-704-547 0.97 [K+].CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12)C([O-])=O
MolPort-001-742-556 0.97 CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(O)=O
MolPort-001-741-356 0.97 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-002-526-213 0.97 [Na+].CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C([O-])=O
MolPort-001-742-316 0.97 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC34C)C12)C(O)=O
MolPort-002-525-668 0.97 [K+].CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C([O-])=O
MolPort-009-196-248 0.97 OC(=O)C1CCC(=C)CC1
MCULE-3558747073 0.97 [C@]12(CC[C@]3([C@@](CC[C@@]4([H])[C@](C)(CO)[C@H](CC[C@]34C)O)([C@]1(C)CC[C@@]1(C(O)=O)CC[C@@H](C(C)=C)[C@@]12[H])C)[H])[H]
MCULE-2845490138 0.97 [C@]123CC[C@H](C1)C(C(=C)[C@@]2([H])CC[C@@H]3C(O)=O)(C)C
MCULE-6569170574 0.97 C1CC2(C(C3(C(C(C(C31)(C)C)O)C=O)C)CCC1C3C(C(C)=C)CCC3(CCC21C)C(=O)O)C
MCULE-2112175098 0.97 CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(CO)(C)C(O)CC2)CC3)=C
MCULE-8091131175 0.97 [C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-].[K+]
MCULE-6212623017 0.97 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O)C
MCULE-5848120811 0.97 C1(=C)C2CCC1CC(C(O)=O)C2
MCULE-3719801152 0.97 [C@@H]1(O)C[C@@]2(C3CCC4C5[C@H](C(C)=C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CCC2C([C@H]1O)(C)C)C)C
MCULE-7281525757 0.97 C1(C)(C)C(CCC1=C)CC(O)=O
MCULE-9520777832 0.97 C(O)(=O)C1CCC(CC1)=C
MCULE-3259621922 0.97 C(O)(CC1CCCC(=C)C1)=O
MCULE-4540266032 0.97 C(O)(=O)CC1CCCC1C=C
MCULE-7490068037 0.97 C1(=C)C2CCCC1CC(C(O)=O)C2
MolPort-035-706-375 0.94 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H]([C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12)C(O)=O
MolPort-001-741-019 0.94 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)[C@H]([C@H](O)C(C)(C)C5CC[C@@]34C)C(O)=O)C12)C(O)=O
MolPort-005-945-548 0.94 CC(=C)C1CCC2(CCC3(C(CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C12)C(O)=O)C(O)=O
MolPort-000-252-835 0.94 CC1(C)C(=C)C2CCC1(C2)C(O)=O
MCULE-3449539268 0.94 C1CC2(C3CCC4C5C(C(C)=C)CCC5(CCC4(C(O)=O)C3(C)CCC2C(C)(C1O)C(=O)O)C(O)=O)C
MCULE-5371407715 0.94 C12(CCC(C(=C)C1(C)C)C2)C(O)=O
MolPort-007-980-904 0.93 CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C=O
MolPort-027-637-299 0.93 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C=O
MCULE-1753922453 0.93 [H][C@@]12[C@]3(CC[C@]4([C@](C)([C@]3(C)CC[C@@]1(C=O)CC[C@H]2C(=C)C)CC[C@]1([H])[C@@]4(CC[C@@H](C1(C)C)O)C)[H])[H]
MCULE-2484766562 0.93 C1C[C@@]2([C@]3(CC[C@@]4([C@]5([C@H](C(C)=C)CC[C@]5(C=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)[H])[H])[H])C
MolPort-001-740-812 0.91 CC(=O)[C@]12C[C@@H](CC[C@@]1(C)CC[C@@H]2O)C(=C)C(O)=O
MCULE-3209954130 0.91 C1[C@@H](CC[C@]2(CC[C@H](O)[C@]21C(=O)C)C)C(C(O)=O)=C
MolPort-046-594-199 0.90 CC12CCCC(C)(C1CCC13CC(=C)C(O)(C1)CCC23)C(O)=O
MolPort-001-742-582 0.90 CC(CCO)CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(O)=O
MolPort-001-740-928 0.90 C[C@@]12CCC[C@](C)(C1CCC13CC(CCC21)C(=C)C3)C(O)=O
MolPort-027-835-542 0.90 C[C@]12CCC[C@](C)([C@@H]1CC[C@]13CC(=C)[C@@](O)(C1)CC[C@H]23)C(O)=O
MolPort-046-153-069 0.90 C[C@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(O)=O
MolPort-044-723-330 0.90 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3)C(O)=O
MolPort-039-052-637 0.90 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)[C@H]3O)C(O)=O
MolPort-020-005-960 0.90 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(O)=O
MolPort-023-274-294 0.90 CC(CCO)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
MolPort-035-705-910 0.90 C[C@@H](CCO)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O
MolPort-029-943-094 0.90 CC(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)CC(O)=O
MolPort-039-052-710 0.90 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)C3)C(O)=O
MolPort-039-338-304 0.90 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)[C@@H]3O)C(O)=O
MolPort-046-764-482 0.90 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC(=C)[C@]34C)[C@@H]1CCC2=O
MCULE-9706743745 0.90 C1C[C@]2(C)[C@]3([H])CC[C@@]4(O)C(=C)C[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
MCULE-8251326522 0.90 C=C1C[C@@]23[C@](CC[C@@]1(C2)O)([H])[C@@]1(C)[C@]([C@@](CCC1)(C(=O)O)C)([H])CC3
MCULE-1233983645 0.90 CC12C3CCC4(O)C(CC3(C4)CCC1C(C(O)=O)(C)CCC2)=C
MCULE-3735012527 0.90 C[C@@]1([C@@]2([H])[C@]([C@]3(CC[C@@]4(C[C@]3(CC2)CC4=C)O)[H])(C)CCC1)C(=O)O
MCULE-3300513366 0.90 C1(=C)[C@@H]2C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(O)=O)[C@@H]3CC2)C1
MCULE-3174021569 0.90 OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MCULE-5456178986 0.90 OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MCULE-4640003531 0.90 C1C[C@@]2(C)C3C4(CCC2[C@@](C(O)=O)(C)C1)CC(=C)C(CC3)C4
MCULE-4713145304 0.90 C1C[C@]2(C)[C@@]([H])(CC[C@@H](C)CCO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
MCULE-8330160340 0.90 [C@@]12(C)CCC[C@@](C)(C(O)=O)[C@@]1([H])CCC(=C)[C@H]2CCC(C)CCO
MCULE-5304256304 0.90 C(=O)(CCCC=C)CCCCCC(=O)O
MCULE-4888197133 0.90 C1(=O)CC2(C)C(CCC(C)CCO)C(=C)CCC2C(C)(C)C1
MCULE-4393909687 0.90 C1CC2(C)C(CCC(C)CC(=O)O)C(=C)CCC2C(C)(C(=O)O)C1
MolPort-021-804-808 0.88 CC1(CC(O)C2(C1)CCC1C(C)(CCCC1(C)C2=O)C(O)=O)C=C
MCULE-7634595841 0.88 C1CC2(C)C(=O)C3(CC(C=C)(C)CC3O)CCC2C(C(=O)O)(C)C1
MCULE-5815266173 0.88 C1(CCC(=C)C1(C)C)C(=O)C(O)=O
MCULE-6742532196 0.88 C1(C)(CCC(=C)C1(C)C)C(=O)C(O)=O
MCULE-9070724061 0.88 C1(C)(CCC(=C)C1(C)C)C(O)C(O)=O
MCULE-7051383473 0.88 C1(C)(C)C(=C)CCC1C(O)C(O)=O
MolPort-023-299-061 0.87 C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)CO
MolPort-046-153-745 0.87 C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)C=O
MolPort-046-158-394 0.87 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12
MolPort-039-052-624 0.87 CC(=C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-039-052-495 0.87 CC(C)(O)[C@H](O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-001-740-747 0.87 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(O)=O
MolPort-001-740-815 0.87 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(O)=O
MolPort-000-422-027 0.87 CC1(C)C2CCC(C2)(C([O-])=O)C1=C
MolPort-000-421-911 0.87 CC1(C)C2CCC(C2)(C(O)=O)C1=C
MolPort-002-929-501 0.87 C[C@]1(O)CCC[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
MCULE-3240845890 0.87 C1C[C@@]2(C)[C@@](C[C@H](C(C(=O)O)=C)CC2)([C@@](C1)(O)C)[H]
MCULE-8675761077 0.87 [C@]12([H])[C@@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
MCULE-2876144776 0.87 C12(CCC(C(C)(C)C1=C)C2)C(O)=O
MCULE-9204788308 0.87 C12C(C)(CCCC1(C)CCC(C2)C(=C)C(O)=O)O
MCULE-2632444883 0.87 C12[C@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
MolPort-023-213-101 0.86 CC(=C)CCCCCC(O)=O
MolPort-002-894-354 0.86 OC(=O)CCCCCCCC(=O)CCCCCCCCC=C
MolPort-000-153-810 0.86 OC(=O)CCCCCCCC=C
MolPort-006-069-065 0.86 OC(=O)CCCCCCCCCC=C
MolPort-002-507-392 0.86 OC(=O)CCCCCCCCC=C
MolPort-023-213-100 0.86 CC(=C)CCCCC(O)=O
MolPort-023-213-093 0.86 OC(=O)CCCCCCC=C
MolPort-028-746-650 0.86 OC(=O)CCCCCCCCCCCCC=C
MolPort-022-365-502 0.86 CC(=C)CCCC(O)=O
MolPort-023-213-102 0.86 CC(=C)CCCCCCC(O)=O
MolPort-035-706-318 0.86 CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12
MolPort-025-497-618 0.86 CC(C)CC(CCC=C)C(O)=O
MolPort-023-213-092 0.86 OC(=O)CCCCCC=C
MCULE-9714012387 0.86 C(CCCCCCC(=O)O)C(=O)CCCCCCCCC=C
MCULE-7974840074 0.86 C(CCCCCCCCC(CCCCCC(O)=O)=O)=C
MCULE-6091105789 0.86 C=C(CCCCCC(=O)O)C
MCULE-2837812117 0.86 C=C(C)CCCCC(=O)O
MCULE-6863504457 0.86 O=C(CCCCC(O)=O)CCCCCCCCC=C
MCULE-1403801057 0.86 C(CCCCCC(=O)O)CCCCCCC=C
MCULE-7928135942 0.86 C(CCCCCCCCC=C)(O)=O
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