SANC00325 Epibuphanisine




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-046-153-066 0.84 CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(OCO5)C=C34)[C@H]2C[C@@H]1O
MCULE-7547592688 0.83 C12OCOC=1C=C1C3CN(CC1=C2)C1CC(O)C(O)C=C31
MolPort-019-936-918 0.83 OC1CC2N3CC(C2=CC1O)C1=CC2=C(OCO2)C=C1C3
MCULE-8029878723 0.71 [C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
MCULE-4471227410 0.71 [C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
MCULE-9316066032 0.71 OC1C(C=C2CCN3CC4=CC5OCOC=5C=C4C1([H])C32[H])O
MolPort-000-882-129 0.71 O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
MolPort-030-042-292 0.71 OC1C=C2CCN3CC4=C(C=C5OCOC5=C4)C(C23)C1O
MolPort-000-707-381 0.70 [I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)C(C13)C1=C(C2)C=C2OCOC2=C1
MolPort-000-739-651 0.70 [I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@H]([C@H]13)C1=C(C2)C=C2OCOC2=C1
MolPort-009-653-412 0.70 Cl.O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
MCULE-5300920464 0.70 [C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O.Cl
MCULE-4900852218 0.70 Cl.[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
MCULE-5816040634 0.70 C1(OC)C=C2CCCN3CCC4[C@]3(C2=CC=1OC)C[C@@H](OC)CC=4
MolPort-035-705-698 0.70 CO[C@H]1CC=C2CCN3CCCC4=CC(OC)=C(OC)C=C4[C@]23C1
MCULE-8351086732 0.69 [C@]12([H])[C@H](O)[C@@H](OC)C=C3CCN(CC4=CC(OC)=C(OC)C=C14)[C@@]23[H]
MCULE-9348625348 0.69 C1(OC)C=C2CCN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
MolPort-023-274-267 0.69 CO[C@H]1C=C2CCN3CC4=C(C=C(OC)C(OC)=C4)[C@@H]([C@@H]23)[C@@H]1O
MolPort-039-052-541 0.69 CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=CC(OC)=C(OC)C=C31
MolPort-035-668-917 0.67 OC1CC2CCN3CC4=C(C=C5OCOC5=C4)C([C@H]23)[C@H]1O
MolPort-002-526-469 0.67 O[C@H]1C[C@H]2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
MolPort-044-179-667 0.67 O[C@H]1CC2CCN3CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1O
MolPort-046-594-236 0.67 OC1CC2CCN3CC4=CC5=C(OCO5)C=C4C(C23)C1O
MCULE-9694482286 0.67 [C@H]1(O)C[C@@]2([H])CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
MCULE-3609746722 0.67 C12([H])C(O)C(O)CC3CCN(CC4=CC5OCOC=5C=C14)C23[H]
MCULE-4557116195 0.67 C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1
MCULE-3290305628 0.67 C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1.Cl
MolPort-044-181-432 0.67 Cl.O[C@H]1CC[C@@H]2CN3CCC4=CC5=C(OCO5)C=C4[C@@H]3C[C@@H]2C1
MolPort-019-936-809 0.66 COC1CC2N(C)CC3(O)OCC4=CC5=C(OCO5)C=C4C23C=C1
MolPort-002-512-188 0.66 CO[C@H]1C[C@H]2N(C)C[C@@]3(O)OCC4=C(C=C5OCOC5=C4)[C@@]23C=C1
MCULE-5333356766 0.66 [C@@]123C=C[C@H](C[C@@]1([H])N(C[C@@]2(O)OCC1C=C2OCOC2=CC3=1)C)OC
MCULE-8961249760 0.66 C12OCOC=1C=C1COC3(O)CN(C)C4CC(OC)C=CC34C1=C2
MCULE-5634444264 0.66 C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@H](OC)C=C5
MCULE-8055874857 0.66 C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@@H](OC)C=C5
MCULE-5262270574 0.66 [C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C(O)C(OC)=CC=2C3)[C@@H]1O
MolPort-035-705-694 0.66 CO[C@@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
MolPort-035-705-695 0.66 CO[C@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
MolPort-044-754-200 0.66 COC1=CC2=C(C=C1O)[C@H]1[C@@H]3N(CCC3=C[C@H](O)[C@H]1O)C2
MolPort-002-515-696 0.65 COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-725-791 0.65 [OH-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[NH+](C)CCC2=CC2=C1OCO2
MolPort-002-520-180 0.65 COC1=C2C(CC(O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-515-612 0.65 COC1=CC(CCC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
MolPort-002-516-603 0.65 COC1=C2C(CC(O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-522-202 0.65 COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
MCULE-4573182060 0.65 N12CCC(=O)CC1CC1=CC3OCOC=3C=C1C2
MCULE-2028522222 0.65 C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
MCULE-3411300988 0.65 C12=C(CCN(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
MCULE-1514692384 0.65 C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
MCULE-5660778036 0.65 C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC.[Br-]
MCULE-8407052594 0.65 [C@]12(C)CCC3C(CC[C@@]4([H])CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
MCULE-1468712024 0.65 C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H]
MolPort-002-513-244 0.65 COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
MolPort-046-598-105 0.65 COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-698-521 0.65 [I-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-831-098 0.65 [Br-].COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
MolPort-002-513-098 0.65 COC1=C2C(CC(=O)C3=CCC4C5CC[C@H]6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
MolPort-009-758-073 0.65 [I-].COC1=C2C(CC(=O)C3CC[C@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-838-617 0.65 [Br-].COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-721-313 0.64 [I-].COC1=C2C(CC(=O)C3=CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CCC6(C)[C@H]5CCC34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-009-758-113 0.64 [I-].COC1=C2C(CC(=O)C3=CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-035-705-692 0.64 CO[C@@H]1C[C@]23N(CC=C2C=C1)C[C@H](O)C1=CC(OC)=C(OC)C=C31
MolPort-002-516-591 0.64 COC1=C2C(CC(=O)C3=CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
MCULE-6259345237 0.64 [I-].C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
MCULE-4071678887 0.64 C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H].[I-]
MCULE-7658434182 0.64 C1(OC)C=C2[C@@H](O)CN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
MCULE-5124333350 0.64 [C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
MCULE-9318246296 0.64 C12=C(CCN(C)C1CC(O)C(C)C)C=C1C(OCO1)=C2OC
MCULE-5788232203 0.64 C1=CC2C3([H])C(O)CC4=CC5OCOC=5C=C4C3([H])N(C)CC=2C(OC)=C1OC
MCULE-9591780428 0.64 OC1C=C2CCN(C)CC3=CC=C(OC)C4=C3C2C(O4)C1
MCULE-6498289847 0.64 C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@@H](CC(C)C)[C@@H](C1)O)[H])OC
MCULE-7105415085 0.64 C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@H](CC(C)C)[C@@H](O)C1)[H])OC
MCULE-7105035945 0.64 [C@H]1(O)C[C@@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@H]1CC(C)C
MCULE-9667743097 0.64 [C@@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
MCULE-1446120151 0.64 [C@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
MolPort-002-515-137 0.64 COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-046-596-509 0.64 COC1=C2C(CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-526-039 0.64 COC1=C2[C@H](CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-000-698-309 0.64 [I-].COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-006-393-731 0.64 COC1=C(OC)C=C2[C@@H]3C[C@@H](O)[C@@H](CC(C)C)CN3CCC2=C1
MolPort-006-393-733 0.64 COC1=C(OC)C=C2[C@@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
MolPort-028-744-724 0.64 COC1=C(OC)C=C2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCC2=C1
MolPort-046-418-253 0.64 COC1=C(OC)C=C2[C@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
MolPort-002-508-854 0.63 COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
MolPort-001-924-855 0.63 COC1=CC2=C(C=C1OC)C1(CCC(O)CC1)CN(C)C2
MCULE-6987203506 0.63 OC1C=C2CCN(C)CC3=CC=C(OC)C4=C3C2C(O4)C1.Br
MCULE-1332611476 0.63 C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
MCULE-1513496109 0.63 [C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)CCCC
MCULE-7011532507 0.63 C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
MCULE-4040643278 0.63 C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
MCULE-3536652377 0.63 C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
MCULE-5136907017 0.63 Cl.C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
MCULE-2674783794 0.63 C12=C(CCN(C)C1CC(=O)C1CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(CC1=CC4)OC(C)=O)C=C1C(OCO1)=C2OC
MCULE-8735310306 0.63 C1(OC)C=C2[C@@H](OC)CN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
MCULE-5480033808 0.63 [I-].[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)CCCC
MCULE-4457029529 0.63 C12C(CC=C)NC3(CCCC3)CC=1C=C(OC)C(OC)=C2
MCULE-9646553011 0.63 C1=CC2[C@@]3(C)[C@@H](O)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
MCULE-9582795993 0.63 C1=C2OCOC2=C2C(=C1)[C@@]1([H])[C@@H](O)CC3C=C4OCOC4=CC=3[C@@]1([H])N(C)C2
MCULE-2217428265 0.63 CC12C3C=CC4OCOC=4C=3CN(C)C1C1C(=CC3OCOC=3C=1)CC2O
MCULE-4289242615 0.63 CN1[C@@]2([H])[C@]([H])([C@@H](O)CC3C2=CC2OCOC=2C=3)C2C=CC3OCOC=3C=2C1
MCULE-7728607823 0.63 C12C(O)CC3C(=CC4=C(OCO4)C=3)C1N(CC1=C3C(OCO3)=CC=C12)C
MCULE-7401691939 0.63 Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
MCULE-9954073702 0.63 Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
MCULE-5542313374 0.63 [H]Cl.C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
MCULE-7156449246 0.63 [C@@]123CCN(CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)C
MCULE-7226205054 0.63 COC1=C2C3[C@]4([C@@H](O2)C[C@@H](O)C=C4)CCN(C)CC=3C=C1
MCULE-4606036610 0.63 C12(C)CC(O)C=CC31CCN(CC1=CC=C(OC)C(=C31)O2)C
MCULE-2540043444 0.63 [C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)C
MCULE-5565372174 0.63 C12([H])CC(O)C=CC31CCN(CC1=CC=C(OC)C(=C31)O2)C
MCULE-3989035386 0.63 C1(C2=C3C4(C=C[C@H](O)C[C@]4(C)O2)CCN(C)CC3=CC=1)OC
MCULE-5400019199 0.63 [C@@]123CC[NH+](CC4C=CC(OC)=C(OC1CC(O)C=C2)C3=4)C
MolPort-002-713-281 0.63 CCOC1=C(OCC)C=C2C(NCCC2=C1)C1CCC=CC1
MolPort-046-693-204 0.63 COC1=C(O)C=C2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3C2=C1
MolPort-003-181-784 0.63 Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
MolPort-000-797-380 0.63 COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(CC[C@]6(C)C5CC[C@]34C)OC(C)=O)N(C)CCC2=CC2=C1OCO2
MolPort-000-727-084 0.63 [Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCCC3)CC2=C1
MolPort-009-757-539 0.63 Cl.COC1=CC2=C(C=C1OC)[C@@]1(CCC(O)CC1)CN(C)C2
MolPort-039-052-546 0.63 CO[C@@H]1C[C@]23N(CC=C2C=C1)C[C@H](OC)C1=CC(OC)=C(OC)C=C31
MolPort-000-696-189 0.63 [I-].CCCC[N+]1(C)CC[C@@]23C=C[C@H](O)C[C@@H]2OC2=C3C(C1)=CC=C2OC
MolPort-009-758-062 0.63 [Cl-].CCCCC[N@+]1(C)CC[C@@]23C=C[C@H](O)C[C@@H]2OC2=C3C(C1)=CC=C2OC
MolPort-046-594-424 0.63 CN1CC2=C(C=CC3=C2OCO3)C2(C)C(O)CC3=CC4=C(OCO4)C=C3C12
MolPort-001-742-071 0.63 CN1CC2=C(C=CC3=C2OCO3)[C@H]2[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
MolPort-002-513-338 0.63 COC1=C2C(CC(=O)CC\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-020-005-766 0.63 CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
MolPort-002-510-674 0.63 COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
MolPort-046-158-499 0.63 CN1CC2=C3OCOC3=CC=C2[C@@H]2[C@H](O)CC3=C(C=C4OCOC4=C3)[C@H]12
MolPort-020-180-692 0.63 Cl.COC1=CC=C(CCCN2CC3=C(C=C(OC)C(OC)=C3)C3(CCCCC3)C2)C=C1OC
MolPort-020-180-693 0.63 Cl.COC1=CC2=C(C=C1OC)C1(CCCCC1)CN(CCCC1=CC=CC=C1)C2
MolPort-046-157-457 0.63 COC1=CC=C2CN(C)CCC34C=C[C@H](O)C[C@]3(C)OC1=C24
MolPort-046-689-869 0.63 COC1=C2O[C@H]3C[C@H](O)C=C[C@@]33CCN(C)CC(C=C1)=C23
MolPort-044-180-238 0.63 COC1=CC=C2CN(C)CC[C@]34C=CC(O)CC3OC1=C24
MolPort-001-966-661 0.63 COC1=CC=C2CN(C)CCC34C=CC(O)CC3OC1=C24
MolPort-046-689-388 0.63 COC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCNCC(C=C1)=C23
MolPort-046-689-866 0.63 COC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCN(C)CC(C=C1)=C23
MolPort-002-521-885 0.63 COC1=CC=C2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
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