SANC00515 1-Epideacetylbowdensine




Analog ID Simularity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-046-597-999 0.84 CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
MolPort-009-758-349 0.84 [I-].CC(=O)O[C@H]1C[C@H]2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1OC(C)=O
MolPort-000-710-663 0.84 [I-].CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
MolPort-044-179-667 0.80 O[C@H]1CC2CCN3CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1O
MolPort-035-668-917 0.80 OC1CC2CCN3CC4=C(C=C5OCOC5=C4)C([C@H]23)[C@H]1O
MolPort-046-594-236 0.80 OC1CC2CCN3CC4=CC5=C(OCO5)C=C4C(C23)C1O
MolPort-002-526-469 0.80 O[C@H]1C[C@H]2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
MCULE-3609746722 0.80 C12([H])C(O)C(O)CC3CCN(CC4=CC5OCOC=5C=C14)C23[H]
MCULE-9694482286 0.80 [C@H]1(O)C[C@@]2([H])CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
MolPort-002-515-696 0.78 COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-520-180 0.78 COC1=C2C(CC(O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
MolPort-000-725-791 0.78 [OH-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[NH+](C)CCC2=CC2=C1OCO2
MolPort-000-698-521 0.77 [I-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-515-483 0.76 COC1=CC=CC(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C1
MolPort-002-516-922 0.75 COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-834-329 0.75 COC1=C2C(CC(O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-289 0.75 COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
MCULE-5907992453 0.75 C12=C(CCN(C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
MCULE-3411300988 0.75 C12=C(CCN(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
MCULE-2028522222 0.75 C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
MCULE-3528726804 0.75 C12=C(CC[NH+](C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[Cl-]
MCULE-5660778036 0.75 C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC.[Br-]
MolPort-002-516-603 0.75 COC1=C2C(CC(O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-515-612 0.75 COC1=CC(CCC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
MolPort-002-522-202 0.75 COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
MolPort-009-757-991 0.75 Cl.COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
MolPort-000-717-312 0.75 [I-].COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-745-031 0.75 [Cl-].COC1=CC=C(CC(O)CC2[NH+](C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
MolPort-000-831-098 0.75 [Br-].COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
MolPort-002-518-995 0.74 COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
MCULE-6524054120 0.74 CC(OC1C2(C)C3C=CC4OCOC=4C=3CN(C)C2C2C(=CC3OCOC=3C=2)C1)=O
MCULE-1060140243 0.74 CC(=O)O[C@@H]1[C@@]2(C)[C@@](N(CC3C4OCOC=4C=CC=32)C)([H])C2C(=CC3=C(C=2)OCO3)C1
MCULE-8245880204 0.74 C1=CC2[C@@]3(C)[C@@H](OC(=O)C)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
MCULE-9318246296 0.74 C12=C(CCN(C)C1CC(O)C(C)C)C=C1C(OCO1)=C2OC
MCULE-5788232203 0.74 C1=CC2C3([H])C(O)CC4=CC5OCOC=5C=C4C3([H])N(C)CC=2C(OC)=C1OC
MolPort-008-155-948 0.74 CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@H](CC3=CC4=C(OCO4)C=C3[C@@H]12)OC(C)=O
MolPort-046-594-373 0.74 CN1CC2=C(C=CC3=C2OCO3)C2(C)C(CC3=CC4=C(OCO4)C=C3C12)OC(C)=O
MolPort-000-752-271 0.74 [Br-].COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
MolPort-002-526-039 0.74 COC1=C2[C@H](CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-515-137 0.74 COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-046-596-509 0.74 COC1=C2C(CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-000-698-309 0.73 [I-].COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-046-762-432 0.73 O[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](NC(=O)C3=C(O)C4=C(OCO4)C=C23)[C@@H]1O
MCULE-4012425697 0.73 C12=C(CCN(C)C1CC(C1=CC=CC=C1)OC(C)=O)C=C1C(OCO1)=C2OC
MolPort-002-514-890 0.73 COC1=C2C(CC(OC(C)=O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
MolPort-020-005-766 0.72 CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
MolPort-046-158-499 0.72 CN1CC2=C3OCOC3=CC=C2[C@@H]2[C@H](O)CC3=C(C=C4OCOC4=C3)[C@H]12
MolPort-046-594-424 0.72 CN1CC2=C(C=CC3=C2OCO3)C2(C)C(O)CC3=CC4=C(OCO4)C=C3C12
MolPort-001-742-071 0.72 CN1CC2=C(C=CC3=C2OCO3)[C@H]2[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
MolPort-002-513-199 0.72 COC1=C2C(CC(=O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-248 0.72 COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
MCULE-2217428265 0.72 CC12C3C=CC4OCOC=4C=3CN(C)C1C1C(=CC3OCOC=3C=1)CC2O
MCULE-9582795993 0.72 C1=C2OCOC2=C2C(=C1)[C@@]1([H])[C@@H](O)CC3C=C4OCOC4=CC=3[C@@]1([H])N(C)C2
MCULE-7728607823 0.72 C12C(O)CC3C(=CC4=C(OCO4)C=3)C1N(CC1=C3C(OCO3)=CC=C12)C
MCULE-9646553011 0.72 C1=CC2[C@@]3(C)[C@@H](O)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
MCULE-4289242615 0.72 CN1[C@@]2([H])[C@]([H])([C@@H](O)CC3C2=CC2OCOC=2C=3)C2C=CC3OCOC=3C=2C1
MCULE-3155563993 0.72 C12=C(CCN(C)C1CC(=O)CC(OCC)=O)C=C1C(OCO1)=C2OC
MolPort-046-793-208 0.72 Cl.CN1CC2=C3OCOC3=CC=C2[C@H]2[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@H]12
MolPort-000-696-516 0.72 [I-].COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-359 0.71 CCOC(=O)CC(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-513-234 0.71 COC1=C2C(CC(=O)C3CCOC3=O)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-100 0.71 COC1=C2C(CC(=O)C3(C)CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-522-206 0.71 COC1=C2C(CC(=O)C3CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-120 0.71 COC1=C2C(CC(=O)C3(C)CCOC3=O)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-217 0.71 COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-373 0.71 COC1=C2C(CC(C)O)N(C)CCC2=CC2=C1OCO2
MolPort-000-727-595 0.71 [I-].COC1=C2C(CC(=O)C3(C)CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-009-758-272 0.71 [I-].COC1=C2C(CC(=O)C3CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
MCULE-8730131893 0.71 C12=C(CCN(C)C1CC(C)O)C=C1C(OCO1)=C2OC
MCULE-2674783794 0.71 C12=C(CCN(C)C1CC(=O)C1CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(CC1=CC4)OC(C)=O)C=C1C(OCO1)=C2OC
MolPort-000-731-251 0.71 [I-].COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-879 0.71 COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-515-733 0.71 COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-797-380 0.71 COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(CC[C@]6(C)C5CC[C@]34C)OC(C)=O)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-769 0.70 COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-624 0.70 COC1=C2C(CC(O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
MolPort-000-719-611 0.70 [I-].COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-170 0.70 COC1=CC=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-000-720-730 0.70 [I-].COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-869 0.70 COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MCULE-6347733673 0.70 C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC
MCULE-8781608015 0.70 C12=C(CCN(C)C1CC(O)C1C=CC=CC=1)C=C1C(OCO1)=C2OC
MCULE-1105978207 0.70 C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC.[I-]
MCULE-1872782088 0.70 C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)OC)C=C1C(OCO1)=C2OC
MCULE-6277168833 0.70 C12=C(CCN(C)C1CC(O)C(F)(F)F)C=C1C(OCO1)=C2OC
MCULE-2156282825 0.70 C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
MolPort-002-514-277 0.70 COC1=C2C(CC(O)C(F)(F)F)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-872 0.70 COC1=C2C(CC(O)C3=CC=C(CC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
MolPort-000-720-053 0.70 [I-].COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-000-707-970 0.69 [I-].COC1=C2C(CC(O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-662 0.69 COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-287 0.69 COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-002-514-947 0.69 COC1=CC(=CC(OC)=C1OC)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-514-020 0.69 COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
MCULE-3623977626 0.69 C12=C(CCN(C)C1CC(O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
MCULE-3935956997 0.69 C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
MCULE-5876741895 0.69 [I-].C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
MolPort-000-743-610 0.69 [I-].COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-000-729-408 0.69 [I-].COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-827-286 0.69 [I-].COC1=C(OC)C=C(C=C1)C(O)CC1[NH+](C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-009-757-955 0.69 I.COC1=C(OC)C=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-514-606 0.69 COC1=CC(OC)=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-513-949 0.69 COC1=C2C(CC(O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-009-758-012 0.69 Cl.COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-000-734-784 0.69 [Cl-].COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[NH+](C)CCC2=CC2=C1OCO2
MolPort-046-598-105 0.68 COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-244 0.68 COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
MolPort-002-515-048 0.68 COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-419 0.68 COC1=C2C(CC(O)C3=CC=C(F)C=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-531-374 0.68 COC1=C(OC)C=C2C(CCO)N(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
MolPort-002-515-693 0.68 COC1=CC=C(CCC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
MolPort-002-513-218 0.68 COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-515-244 0.68 COC1=C2C(CC(=O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-209 0.68 COC1=CC(CCC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
MolPort-002-516-882 0.68 COC1=CC=C(CCC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
MolPort-002-514-439 0.68 COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MCULE-1372189946 0.68 C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
MCULE-4557116195 0.68 C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1
MCULE-4192923499 0.68 C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)O)=O)C=C1C(OCO1)=C2OC
MCULE-7347258827 0.68 C12=C(CCN(C)C1CC(CCC1C=CC(=C(OC)C=1)O)=O)C=C1C(OCO1)=C2OC
MCULE-4253336600 0.68 C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC
MCULE-5035620957 0.68 C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)OC)=O)C=C1C(OCO1)=C2OC
MCULE-3627009950 0.68 C12=C(CCN(C)C1CC(CCC1C=CC3=C(OCO3)C=1)=O)C=C1C(OCO1)=C2OC
MCULE-9156709024 0.68 C12C(CCN(C)C1CC(=O)C13CC4CC(CC(C4)C1)C3)=CC1=C(OCO1)C=2OC
MCULE-3290305628 0.68 C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1.Cl
MCULE-4400069664 0.68 C12=C(CCN(C)C1CC(=O)CC1N(C)CCC3C=C4C(OCO4)=C(OC)C1=3)C=C1C(OCO1)=C2OC
MCULE-9783615335 0.68 C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC.[I-]
MCULE-2144214276 0.68 C12=C(CCN(C)C1CC(O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
MCULE-4508435763 0.68 C12=C(CCN(C)C1CC(O)C1C=CC(=CC=1)Br)C=C1C(OCO1)=C2OC
MCULE-5574529686 0.68 C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC
MCULE-6248551129 0.68 C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC.[Br-]
MCULE-5665937776 0.68 C12OCOC1=CC(CN1CCCC(CO)(CC3=CC=CC=C3C)C1)=CC=2OC
MolPort-009-758-073 0.68 [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 0.68 [Br-].COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
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