SANC00754 Toddaliopsin D




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-005-981-218 0.85 COC1=C(OC)C(O)=C2C(=O)C3=CC=CC=C3N(C)C2=C1
MCULE-8892996530 0.85 C12C(O)=C(OC)C(=CC=1N(C1=CC=CC=C1C2=O)C)OC
MolPort-006-668-498 0.83 COC1=C(O)C(OC)=C2C(=O)C3=CC=CC=C3N(C)C2=C1
MCULE-2944011006 0.82 C1=CC=C2N(C3C=C(OC)C(O)=C(OC)C=3C(=O)C2=C1)C
MCULE-7565164054 0.77 C12C(OC)=C(OC)C(OC)=C(OC)C=1N(C)C1=CC=CC=C1C2=O
MolPort-001-740-433 0.77 COC1=C(OC)C(OC)=C2C(=O)C3=CC=CC=C3N(C)C2=C1OC
MCULE-5387067747 0.73 C12C(=O)C=CN(CC#N)C1=CC(OC)=C(OC)C=2
MCULE-7737662650 0.72 C12C(=O)C=CN(CCC#N)C1=CC(OC)=C(OC)C=2
MolPort-005-939-212 0.71 COC1=C(OC)C=C2C(=O)C=CNC2=C1
MCULE-8127669211 0.71 C12=CC(OC)=C(C=C1C(=O)C=CN2CC(OC)=O)OC
MCULE-7640456712 0.71 COC1=C(OC)C=C2C(NC=CC2=O)=C1
MCULE-1982451125 0.70 C1C=C2C3C4C(=CC2=CC=1)NC(=O)C=4C(OC)=C(OC)C=3O
MCULE-3246875361 0.70 C1(OC)C(OC)=C2C(=O)NC3C2=C(C2C=CC=CC=2C=3)C=1OC
MCULE-4367115810 0.70 C12=CC(OC)=C(C=C1C(=O)C=CN2CC(N)=O)OC
MCULE-6565875313 0.70 C12C(=O)C=CN(CCC(N)=O)C1=CC(OC)=C(OC)C=2
MolPort-005-945-748 0.70 COC1=C2C(=O)NC3=CC4=C(C=CC=C4)C(=C23)C(O)=C1OC
MolPort-039-338-238 0.70 COC1=C2C(=O)NC3=CC4=C(C=CC=C4)C(=C23)C(OC)=C1OC
MCULE-3154658961 0.69 C12=CC(OC)=C(C=C1C(=O)C=CN2CC(OCC)=O)OC
MCULE-6174399879 0.69 C1C=C2C(=O)C3C(O)=CC(O)=C(OC)C=3N(C)C2=CC=1
MCULE-3072100648 0.69 C12=CC(OC)=C(C=C1C(=O)C=CN2CC(O)=O)OC
MCULE-4905329317 0.69 C12C(=O)C=CN(CCC(OC)=O)C1=CC(OC)=C(OC)C=2
MCULE-5447252802 0.69 C12=CC(OC)=CC=C1N(C=CC2=O)C
MolPort-023-278-995 0.69 COC1=C2N(C)C3=CC=CC=C3C(=O)C2=C(O)C=C1O
MolPort-007-996-531 0.69 COC1=CC=C2N(C)C=CC(=O)C2=C1
MCULE-3163385613 0.68 N1(C(C)C(OC)=O)C=CC(C2=CC(OC)=C(OC)C=C12)=O
MCULE-6190914345 0.68 C12C(=O)C=CN(CCC(O)=O)C1=CC(OC)=C(OC)C=2
MCULE-4098108611 0.68 COC1=CC2=C(C(C=CN2)=O)C(OC)=C1
MolPort-015-116-151 0.67 COC1=CC(OC)=C2C(=O)C=CNC2=C1
MCULE-6874969993 0.67 C12C=C(OC)C=CC=1N(C=CC2=O)CC
MCULE-4136664345 0.67 N1(C(C)C(O)=O)C=CC(C2=CC(OC)=C(OC)C=C12)=O
MCULE-9277324331 0.66 C12C(=O)C=CN(CCC(NN)=O)C1=CC(OC)=C(OC)C=2
MCULE-7780745920 0.66 C12C(O)=CC(=CC=1N(C1=CC=CC=C1C2=O)C)O
MCULE-1631043901 0.66 C12C(=O)C=CN(CCC(OC)=O)C1=CC(OCC)=C(OCC)C=2
MCULE-8875201038 0.66 C12=CC(OCC)=C(C=C1C(=O)C=CN2CC(O)=O)OCC
MCULE-6788883184 0.66 C12C(=O)C=CN(CCC(N)=O)C1=CC(OCC)=C(OCC)C=2
MCULE-3368661793 0.65 C12C(=O)C=CN(CCC(O)=O)C1=CC(OCC)=C(OCC)C=2
MCULE-4879993213 0.65 COC(C1CCCC1)CN1C2C=C(OC)C=C(OC)C=2C(=O)C=C1
MCULE-8625535273 0.65 N1(C)C2=C(C(OC)=CC=C2)C(O)=CC1=O
MCULE-3233149377 0.65 C12=CC(OC)=C(C=C1C(=O)C=CN2CC(NN)=O)OC
MolPort-046-592-220 0.65 COC1=C2C(O)=CC(=O)N(C)C2=CC=C1
MCULE-4752602091 0.64 C1=CC2C3C=CC4C=C5OCOC5=CC=4C=3N(C)C(=O)C=2C(OC)=C1OC
MCULE-7895556103 0.64 N1(CC(OC)=O)C=CC(C2=CC=C(OC)C=C12)=O
MolPort-039-338-210 0.64 COC1=C(OC)C2=C(C=C1)C1=C(N(C)C2=O)C2=C(C=C1)C=C1OCOC1=C2
MolPort-016-729-730 0.64 COC(=O)CN1C=CC(=O)C2=CC=C(OC)C=C12
MolPort-028-594-131 0.63 COCCCN1C=CC2=C(OC)C(OC)=CC=C2C1=O
MCULE-9253364354 0.63 C1(=O)N(CCCOC)C=CC2=C(C(OC)=CC=C12)OC
MCULE-4844740901 0.63 C12C(=O)C=CN(CCC(NN)=O)C1=CC(OCC)=C(OCC)C=2
MCULE-8575006714 0.63 C12C(=O)C=CNC1=CC1OCCOC=1C=2
MCULE-6535563150 0.63 COC1C=C2C(N(C=C2)C)=CC=1OC
MCULE-1790254509 0.63 COC1C2C=CN(C(OC(C)(C)C)=O)C=2C=CC=1
MCULE-9708871664 0.63 C1(=O)C2=CC=C(C(OC)=C2C=CN1CC1CC1)OC
MolPort-023-334-598 0.63 COC1=C2C=CN(C(=O)OC(C)(C)C)C2=CC=C1
MolPort-028-593-240 0.63 COC1=CC=C2C(=O)N(CC3CC3)C=CC2=C1OC
MolPort-002-845-856 0.63 COC1=C2C(=O)C3=CC=CC=C3NC2=CC=C1
MolPort-002-872-482 0.63 CN1C2=CC=CC=C2C(=O)C2=C(O)C=CC=C12
MolPort-007-987-530 0.63 COC1=CC=C2N(CC#N)C=CC(=O)C2=C1
MolPort-007-996-595 0.63 COC1=CC=C2N(CC(C)=O)C=CC(=O)C2=C1
MCULE-5143235289 0.62 N1(CC(C)=O)C=CC(C2=CC(OC)=CC=C21)=O
MCULE-7330378592 0.62 C12C(=CC=CC=1N(C)C1=C(C=CC=C1)C2=O)O
MCULE-9649094183 0.62 C1(=O)C2=CC=CC=C2NC2C=CC=C(OC)C1=2
MCULE-3895373065 0.62 C1(OC)=CC=C2C(=C1)C(=O)C=CN2CC#N
MCULE-6603742191 0.62 C12=CC(OC)=CC=C1C(C=CN2CCC(N)=O)=O
MCULE-1280066348 0.62 C1(OC)C=C2C(=O)C(=O)N(C)C3C2=C(C2C=CC=CC=2C=3)C=1OC
MCULE-4051021997 0.62 C12=CC(OC)=CC=C1N(C=CC2=O)CCC#N
MCULE-3128213557 0.62 N1(CC(OC)=O)C=CC(C2=CC(OC)=CC=C21)=O
MCULE-6519813487 0.62 C1(=O)N(CCCO)C=CC2=C(C(OC)=CC=C12)OC
MCULE-2413472991 0.62 C1C=C2C3C=CC4C=C5OCOC5=CC=4C=3N(C)C(=O)C2=C2OCOC=12
MCULE-1592214653 0.62 C12C(=O)C=CNC=1C=C1OCOC1=C2
MCULE-6503309581 0.62 C12=CC(OC)=C(C=C1C(=O)C=CN2CC1=NNN=N1)OC
MolPort-044-754-189 0.62 COC1=C(OC)C2=C3C(=CC4=C2C=CC=C4)N(C)C(=O)C(=O)C3=C1
MolPort-008-010-593 0.62 COC1=CC=C2N(CCC#N)C=CC(=O)C2=C1
MolPort-007-987-812 0.62 COC(=O)CN1C=CC(=O)C2=CC(OC)=CC=C12
MolPort-022-013-463 0.62 COC1=CC=C2C(=O)N(CCCO)C=CC2=C1OC
MolPort-046-153-795 0.62 CN1C(=O)C2=C(C=CC3=C2OCO3)C2=C1C1=C(C=C2)C=C2OCOC2=C1
MolPort-002-045-014 0.61 COC1=CC(=O)N(C)C2=CC=CC=C12
MolPort-016-729-729 0.61 COC1=CC=C2C(=O)C=CN(CC(O)=O)C2=C1
MolPort-027-836-856 0.61 COC1=CC=C2C(=O)C=CNC2=C1
MolPort-028-579-238 0.61 COC1=CC=C2C(=O)N(CCCF)C=CC2=C1OC
MolPort-028-585-851 0.61 COC1=CC=C2C(=O)N(CCCCF)C=CC2=C1OC
MCULE-7331109327 0.61 C1C=C2C(C=CN(CCC(OC)=O)C2=CC=1OC)=O
MCULE-2292226033 0.61 N1(C2C=CC=CC=2)C(=O)C2C=C(C3C(N(C4C=CC=CC=4)C(=O)C4=CC(OC5C=CC=CC=5)=C(C=2C=34)C1=O)=O)OC1C=CC=CC=1
MCULE-4182818190 0.61 C1C=C2C(OC)=CC(=O)N(C)C2=CC=1
MCULE-8355196972 0.61 N1(CC(O)=O)C=CC(C2=CC=C(OC)C=C12)=O
MCULE-7785018700 0.61 C1(=O)N(CCCF)C=CC2=C(C(OC)=CC=C12)OC
MCULE-1970447284 0.61 C1(=O)N(CCCCF)C=CC2=C(C(OC)=CC=C12)OC
MCULE-6410568511 0.61 C1C(OC)=C(OC)C=C2NC(=O)C=C(O)C=12
MCULE-4145938601 0.61 O=C(OC(C)(C)C)N1C2C=C(C=CC=2C=C1)OC
MCULE-6100293213 0.61 C12=CC(OC)=CC=C1C(C=CN2CCC(O)=O)=O
MolPort-009-199-590 0.61 COC1=C(OC)C=C2C(O)=CC(=O)NC2=C1
MolPort-016-731-390 0.61 COC1=CC=C2C(=O)C=CN(CCC(O)=O)C2=C1
MolPort-028-582-092 0.60 COC1=CC=C2C(=O)N(CCCC(F)(F)F)C=CC2=C1OC
MolPort-028-587-713 0.60 COC1=CC=C2C(=O)N(CCCCO)C=CC2=C1OC
MolPort-042-675-238 0.60 COC1=CN(C)C2=CC=CC=C2C1=O
MCULE-6187960196 0.60 C1(=O)N(CCCC(F)(F)F)C=CC2=C(C(OC)=CC=C12)OC
MCULE-5448770984 0.60 C1(=O)N(CCCCO)C=CC2=C(C(OC)=CC=C12)OC
MCULE-8403824699 0.60 C12=C(C=CC=C1C(C=CN2CC)=O)OC
MCULE-1751016856 0.60 C1C=C2C(=CC=1)N(C)C=C(OC)C2=O
MCULE-1143734644 0.60 C12=CC(OC)=C(C=C1NC=C(I)C2=O)OC
MCULE-1180165899 0.60 N1C2=C(C=C3OCCOCCOCCOC3=C2)C(=O)C=C1
MCULE-3719430777 0.60 C12=CC(OC)=CC=C1N(C=CC2=O)CCC(N)=O
MCULE-9673527901 0.60 C12C=CC(=O)NC=1C=C(OC)C(OC)=C2
MCULE-9827398040 0.60 COC1=C2C(C(N(C=C2)CC(C)C)=O)=CC=C1