SANC00109 9-Angelylhastanecine




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-3001536995 0.91 [C@]12([H])CCCN1C[C@H](O)[C@@H]2COC(/C(=C\C)/C)=O
MolPort-046-153-852 0.91 C\C=C(\C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12
MCULE-4226767409 0.84 N1(C)C2CCC1CC(OC(/C(/C)=C/C)=O)C2
MCULE-5741931390 0.84 N1(C)C2CCC1CC(OC(/C(/C)=C\C)=O)C2
MCULE-1328502038 0.84 C(O[C@@H]1C[C@@H]2N(C)[C@@H](CC2)C1)(=O)/C(/C)=C/C
MolPort-046-153-866 0.84 C\C=C(\C)C(=O)OC1CC2CCC(C1)N2C
MolPort-044-754-029 0.84 C\C=C(/C)C(=O)OC1CC2CCC(C1)N2C
MolPort-006-111-467 0.84 C\C=C(/C)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C
MolPort-000-748-737 0.81 [Cl-].C\C=C\C(=O)OC[C@@H]1CCC[NH+]2CCCC[C@H]12
MolPort-027-717-778 0.81 Cl.CC=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-002-511-364 0.78 CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MCULE-2868704165 0.78 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
MolPort-000-738-299 0.77 [I-].CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MCULE-3636847680 0.77 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
MCULE-4094691449 0.76 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C
MCULE-5975824916 0.76 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C)C
MolPort-002-514-288 0.76 C[N+]12CCCC[C@@H]1[C@H](COC(=O)C=C)CCC2
MolPort-002-509-606 0.76 C=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-039-338-396 0.75 C\C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H]2C[C@@H](C[C@H]1N2C)OC(=O)C(\C)=C\C
MCULE-4354077810 0.75 [C@H]1(O)[C@H]2N(C)[C@H](C[C@@H](OC(=O)/C(=C/C)/C)C2)[C@H]1OC(/C(/C)=C/C)=O
MCULE-5410367230 0.75 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C)C.[I-]
MolPort-002-525-319 0.75 CCC(CO)NCC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-000-707-524 0.75 [I-].C[N+]12CCCC[C@@H]1[C@H](COC(=O)C=C)CCC2
MolPort-009-757-738 0.75 OC(C(O)C(O)=O)C(O)=O.C\C=C1/C[C@H](C)[C@H](C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-002-531-325 0.74 COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-046-153-871 0.74 CC(C)CC(=O)OC1CC2CC(O)C(C1)N2C
MCULE-4869122368 0.74 C1C(O)C2N(C)C1CC(OC(CC(C)C)=O)C2
MolPort-002-531-713 0.74 C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1CO
MolPort-002-531-287 0.73 CCC(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-530-793 0.73 C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCC1
MolPort-002-509-334 0.73 CN(CC(O)C(O)C(O)C(O)CO)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-532-611 0.73 COCC1CCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MCULE-8670586100 0.73 N1C(C)(C)CC(CC1(C)C)OC(=O)C=CC(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-003-707-657 0.73 CC1(C)CC(CC(C)(C)N1)OC(=O)\C=C\C(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-002-152-394 0.73 CC1(C)CC(CC(C)(C)N1)OC(=O)\C=C/C(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-002-519-484 0.73 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1CO
MolPort-002-512-487 0.73 CC12CC(CC(C)(C)C1)N(CC1[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC1=O)C2
MolPort-002-524-948 0.72 CC(C)CNCC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-524-386 0.72 C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCO
MolPort-002-513-596 0.72 COCCCNCC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-517-235 0.72 CCC(CO)NCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
MCULE-3408134534 0.72 [C@]12([C@@]3([H])COC(=O)[C@](C)(O)[C@@]([H])(C)CC(=CC)C(=O)O[C@]1([H])CCN2CC3)[H]
MCULE-2453824717 0.72 C1(=O)C(=CC)C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H]([C@]32[H])O1
MCULE-7322741531 0.72 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-8392481784 0.72 C12(C3([H])COC(=O)C(C)(O)C([H])(C)CC(=CC)C(=O)OC1([H])CCN2CC3)[H]
MCULE-1098347199 0.72 C1(=C/C)/C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC/1=O)[C@@]23[H])C
MCULE-8076139844 0.72 O=C1C2(CCCNC2)CC(C)(C)O1
MCULE-9542568510 0.72 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@]23[H])C
MolPort-009-758-530 0.72 OC(=O)C(O)=O.COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-006-111-401 0.72 C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-001-970-710 0.72 C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MolPort-007-549-187 0.72 C\C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MolPort-039-338-352 0.72 C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-039-339-124 0.72 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@H]23
MolPort-002-527-317 0.72 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-002-532-582 0.72 CCOC(=O)C1CCCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-516-159 0.71 CC(CO)(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-375 0.71 C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCCC1
MolPort-002-523-814 0.71 CC1CCN(CC2[C@H]3C[C@H]4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-513-444 0.71 CC1CCCCN1CC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-569 0.71 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCCC4CO)[C@H]3[C@@H]3O[C@]123
MolPort-046-597-755 0.71 CC1(C)CCCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-573 0.71 CC1CCCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-636 0.71 CC1(C)CCCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-775 0.71 CC1CCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-000-764-181 0.71 CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CN1CCCC1
MolPort-002-532-538 0.71 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCC1
MCULE-9663035334 0.71 C1(CN2CCCC2)C2CC3C(CCCC3(CC2OC1=O)C)=C
MCULE-5340701449 0.71 OC1CC(C(OC2CCC2)=O)CNC1
MCULE-4307048516 0.71 [C@]123C[C@@]4([C@@](O)(C[C@@H]([C@]5(O)[C@]([C@]6([H])CC[C@]([H])(C)CN6C[C@]54[H])(C)O)O)[C@]1([H])CC[C@@]1([C@](O)([C@H](CC[C@]21C)OC(=O)C(C)=CC)O3)[H])O
MCULE-5893495558 0.71 CCC1OCC2(C(C(OC)=O)CNC2)C1
MCULE-2103412004 0.71 C12(CCCNC1)CCOC2=O
MolPort-002-513-682 0.71 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCC4)[C@H]3[C@@H]3O[C@]123
MolPort-002-513-365 0.70 CC(NCC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)C1C2CC3CC2CCC1C3
MolPort-009-757-940 0.70 Cl.CC1CCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-006-126-310 0.70 CC(=C)C(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-044-754-045 0.70 C[C@@H]1C\C(C)=C/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@]1(C)O)[C@H]23
MolPort-008-346-707 0.70 C[C@@H]1C[C@H]2C(CN3CCC(C)CC(C)(C)C3)C(=O)O[C@@H]2C2[C@@H]3O[C@]3(C)CC[C@@H]12
MolPort-002-511-467 0.70 CC12CC(CC(C)(C)C1)N(CC1[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC1=O)C2
MCULE-6447820968 0.70 COC(C1C2(COC(C)CC2)CNC1)=O
MCULE-7305711469 0.70 CC1OCC2(C(CO)NCC2)CC1
MCULE-7481271494 0.70 C(=O)(C(C)=C)OC1CC(C)(C)NC(C)(C)C1
MCULE-5167089946 0.70 CCCC1C2(C(CO)NCC2)COC1
MCULE-4439033625 0.70 CCC1OCC2(C(CO)NCC2)C1
MCULE-3802865413 0.70 OCC1C2(CC(C3CC3)OC2)CCN1
MCULE-5978480981 0.70 CC(C1OCC2(C(CO)NCC2)C1)C
MCULE-1752229824 0.70 C1CC2C(CCC[N+]2(C)CC1)COC(C1CCNCC1)=O
MCULE-7385234822 0.70 C1(=O)OC2C(CC3C(C)(CCCC3=C)C2)C1CNCCCCCCCCCCCCCCCCCC
MCULE-7478824453 0.70 C1(=O)OC2C(CC3C(C)(CCCC3=C)C2)C1CNCC1C2CC3C(CCCC3(CC2OC1=O)C)=C
MCULE-7545978849 0.70 N1(C)C2CCC1CC(OC(=O)CCN1CCCC1)C2
MCULE-4659933370 0.70 [NH+]1(C)C2CCC1CC(OC(=O)CC[NH+](CC)CC)C2
MCULE-5328556833 0.70 N1(C)C2CCC1CC(OC(=O)CCN1CCCCC1)C2
MCULE-7225818953 0.70 C1(CCCNC1)(CCOC)C(OCC)=O
MCULE-1506963069 0.70 C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32)O1
MCULE-7838408162 0.70 C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32[H])O1
MCULE-2275165086 0.70 CCC1OCC2(C(C(O)=O)CNC2)C1
MCULE-9273757492 0.70 CCCC1C2(C(C(O)=O)CNC2)COC1
MCULE-5958737035 0.70 CCOC(C1C2(CC(C)OC2)CNC1)=O
MCULE-9402104350 0.70 COC(C1C2(C(C)C(C)OC2)CNC1)=O
MCULE-9230891451 0.70 CCC1C2(C(C(OC)=O)CNC2)COC1
MCULE-2112951562 0.70 CC(C1OCC2(C(C(O)=O)CNC2)C1)C
MCULE-8007991830 0.70 N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2
MCULE-5989447169 0.70 OC(C1C2(CC(C3CC3)OC2)CNC1)=O
MolPort-002-513-921 0.70 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNC1CCCCC1
MolPort-002-513-714 0.70 CCC(C)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-511-035 0.70 CCCCCCCCCCCCCCCCCCNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
MolPort-002-523-538 0.70 C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCO
MolPort-002-513-672 0.70 CC(C)CNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-516-887 0.70 CC(C)CCCC(C)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-000-766-316 0.70 CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
MolPort-002-509-502 0.70 CCCCCCCCCCN(CCCCCCCCCC)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-462 0.70 CC(C)CNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-380 0.70 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCCO)[C@H]3[C@@H]3O[C@]123
MolPort-007-549-844 0.70 CCN(CC)CCC(=O)OC1CC2CCC(C1)N2C
MolPort-000-917-846 0.70 CN1C2CCC1CC(C2)OC(=O)CCN1CCCC1
MolPort-000-917-848 0.70 CN1C2CCC1CC(C2)OC(=O)CCN1CCCCC1
MolPort-019-885-075 0.70 CCOC(=O)C1(CCOC)CCCNC1
MolPort-000-917-836 0.70 CN1C2CCC1CC(C2)OC(=O)CCN1CCOCC1
MolPort-002-532-325 0.70 CCOC(=O)C1CCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-009-653-454 0.70 OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)C(C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-009-758-408 0.70 OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-035-813-702 0.70 OC(C(O)C(O)=O)C(O)=O.C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MolPort-002-508-685 0.69 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCCC3)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)C12
MolPort-002-528-372 0.69 CCOC(=O)C1CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-512-509 0.69 CC1CN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
MolPort-002-516-627 0.69 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCN(CCO)CCO
MolPort-046-674-717 0.69 CC(C)(C)OC(=O)CC1CC2(CN1)CCOCC2
MolPort-046-676-197 0.69 CCOC(=O)CC1CC2(CN1)CCOCC2
MolPort-029-702-303 0.69 CCOC(=O)C1CNCC(O)C1
MolPort-002-510-177 0.69 CC1CC(=O)C(C)CN1CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-511-285 0.69 CC1CCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-524-969 0.69 C[C@]12CCCC(=C)[C@@H]1CC1C(C2)OC(=O)[C@H]1CN1CCCCC1
MolPort-002-516-469 0.69 CC1CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-574 0.69 CCC1CCCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-511-400 0.69 CC1CCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)(C)C1
MolPort-002-510-628 0.69 CC1(C)CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-352 0.69 CC1CCCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-536-143 0.69 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1
MolPort-000-840-041 0.69 OC(=O)C(O)=O.CCOC(=O)C1CCCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-531-307 0.69 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCCC1
MCULE-5845302148 0.69 C1CC2C(CCC[N+]2(C)CC1)COC(C1CCNCC1)=O.[I-]
MCULE-9091644786 0.69 CC(OC(C1CC(O)CNC1)=O)C
MCULE-3893708934 0.69 C1NCC(O)CC1C(OCC)=O
MCULE-3796927397 0.69 CC(OC(C1CC(O)CNC1)=O)(C)C
MCULE-6555618294 0.69 COC(C1C(C2OCCCC2)CNC1)=O
MCULE-8850231818 0.69 CC1OCC2(C(C(O)=O)CNC2)CC1
MCULE-8122860843 0.69 [C@H]1(CN2CCCCC2)C2C[C@@]3([H])C(CCC[C@@]3(CC2OC1=O)C)=C
MCULE-9057047804 0.69 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)(C)C)C
MCULE-4362937503 0.69 CC1C(C)C2(C(CO)NCC2)CO1
MCULE-6472712533 0.69 CC(C1C2(C(CO)NCC2)COC1)C
MCULE-9198609119 0.69 CCC1C2(C(CO)NCC2)COC1
MCULE-1177941465 0.69 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)(C)C
MCULE-8063754314 0.69 C1CC2C(CCC[N+]2(C)CC1)COC(C(C)C)=O
MCULE-8417865679 0.69 OCC1C(C2OCCCC2)CCN1
MCULE-6679332719 0.69 C1CC2C(CCCN2CC1)COC(C(C)C)=O
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