SANC00908 Leonurine




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-023-299-444 1 C[C@@H]([C@@H](C)C(O)=O)C(O)=O
MolPort-023-220-552 1 N.N.OC(=O)CCC(O)=O
MolPort-001-757-120 1 CC(C)(C(O)=O)C(C)(C)C(O)=O
MolPort-003-934-981 1 O[13C](=O)[13CH2][13CH2][13C](O)=O
MolPort-001-760-600 1 CC(C)(CC(O)=O)C(O)=O
MolPort-023-220-552 1 N.N.OC(=O)CCC(O)=O
MolPort-001-781-574 1 CC(CC(O)=O)C(O)=O
MolPort-003-932-332 1 C[C@@H](CC(O)=O)C(O)=O
MolPort-003-932-331 1 C[C@H](CC(O)=O)C(O)=O
MolPort-046-590-040 1 [NH4+].OC(=O)CCC([O-])=O
MolPort-023-299-444 1 C[C@@H]([C@@H](C)C(O)=O)C(O)=O
MolPort-000-871-623 1 OC(=O)CCC(O)=O
MolPort-003-927-034 1 CC(C(C)C(O)=O)C(O)=O
MolPort-046-590-040 1 [NH4+].OC(=O)CCC([O-])=O
MolPort-006-112-249 0.94 [K+].[K+].[O-]C(=O)CCC([O-])=O
MolPort-001-760-608 0.94 O.O.O.O.O.O.[Na+].[Na+].[O-]C(=O)CCC([O-])=O
MolPort-003-927-315 0.94 OCCO.OC(=O)CCC(O)=O
MolPort-039-140-856 0.94 O.O.O.[K+].[K+].[O-]C(=O)CCC([O-])=O
MolPort-003-926-421 0.94 [Na+].[Na+].[O-]C(=O)CCC([O-])=O
MolPort-028-746-065 0.94 [Na+].OC(=O)CCC([O-])=O
MolPort-039-140-856 0.94 O.O.O.[K+].[K+].[O-]C(=O)CCC([O-])=O
MolPort-028-746-065 0.94 [Na+].OC(=O)CCC([O-])=O
MolPort-001-788-264 0.93 OC(=O)CCC=O
MolPort-046-761-413 0.88 [CaH2].OCCCC(O)=O
MolPort-046-764-379 0.88 [Na+].O[13CH2][13CH2][13CH2][13C]([O-])=O
MolPort-044-189-545 0.88 [Na+].CC(C)(CCO)C([O-])=O
MolPort-046-761-413 0.88 [CaH2].OCCCC(O)=O
MolPort-044-189-545 0.88 [Na+].CC(C)(CCO)C([O-])=O
MolPort-039-214-595 0.88 [Na+].CC(C)(CO)CC([O-])=O
MolPort-046-761-756 0.88 [NaH].OCCCC(O)=O
MolPort-046-202-828 0.88 [Na+].CC(CCO)C([O-])=O
MolPort-046-202-828 0.88 [Na+].CC(CCO)C([O-])=O
MolPort-046-761-756 0.88 [NaH].OCCCC(O)=O
MolPort-039-214-595 0.88 [Na+].CC(C)(CO)CC([O-])=O
MolPort-046-764-379 0.88 [Na+].O[13CH2][13CH2][13CH2][13C]([O-])=O
MolPort-003-657-454 0.83 CCC(C)(CC(O)=O)C(O)=O
MolPort-028-746-511 0.80 CC(C)[C@H](C)C(O)=O
MolPort-001-787-741 0.80 CCC(C)(C)C(O)=O
MolPort-001-779-742 0.80 CCC(C)C(O)=O
MolPort-001-769-669 0.80 CCCC(O)=O
MolPort-001-757-233 0.80 CC(C)(C)CC(O)=O
MolPort-000-871-620 0.80 CC(C)CC(O)=O
MolPort-046-762-823 0.80 [2H]C([2H])([2H])[C@H](CC)C(O)=O
MolPort-028-746-511 0.80 CC(C)[C@H](C)C(O)=O
MolPort-022-367-023 0.80 CC(C)(C)C(C)(C)C(O)=O
MolPort-022-367-023 0.80 CC(C)(C)C(C)(C)C(O)=O
MolPort-005-933-146 0.80 CC[C@@H](C)C(O)=O
MolPort-003-846-863 0.80 [2H]C([2H])([2H])C(CC)(C(O)=O)C([2H])([2H])[2H]
MolPort-006-120-954 0.80 CC(C)C(C)C(O)=O
MolPort-006-129-056 0.80 CC(C)C(C)(C)C(O)=O
MolPort-006-124-792 0.80 OCCCC=O
MolPort-003-928-483 0.80 CC[C@H](C)C(O)=O
MolPort-003-934-728 0.80 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O
MolPort-046-762-823 0.80 [2H]C([2H])([2H])[C@H](CC)C(O)=O
MolPort-001-761-233 0.80 CC(C(O)=O)C(C)(C)C
MolPort-002-499-345 0.79 O[C@H](CC(O)=O)C(O)=O
MolPort-046-691-475 0.79 [2H]C([2H])(C(O)=O)C([2H])(O)C(O)=O
MolPort-001-761-151 0.79 O[C@@H]([C@H](O)C(O)=O)C(O)=O
MolPort-003-928-589 0.79 O[C@H]([C@@H](O)C(O)=O)C(O)=O
MolPort-001-779-714 0.79 OC(C(O)C(O)=O)C(O)=O
MolPort-039-140-888 0.79 N.N.O[C@H]([C@@H](O)C(O)=O)C(O)=O
MolPort-006-126-534 0.79 [Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(C(C([O-])=O)C([O-])=O)C([O-])=O
MolPort-003-925-208 0.79 O[C@@H](CC(O)=O)C(O)=O
MolPort-001-785-695 0.79 CC(C(O)C(O)=O)C(O)=O
MolPort-046-417-415 0.79 C.C.O[C@H]([C@@H](O)C(O)=O)C(O)=O
MolPort-022-373-273 0.79 CC(O)(C(O)=O)C(C)(O)C(O)=O
MolPort-044-723-983 0.79 [N+].[N+].OC(C(O)C([O-])=O)C([O-])=O
MolPort-003-710-962 0.79 OC(CC(O)=O)C(O)=O
MolPort-001-788-419 0.79 OC(=O)CC(=O)C(O)=O
MolPort-044-875-850 0.79 C[C@H]([C@H](O)C(O)=O)C(O)=O
MolPort-046-701-777 0.79 O[C@@H]([C@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O
MolPort-008-266-505 0.79 CCC(C(CC)C(O)=O)C(O)=O
MolPort-046-194-936 0.79 [NH4+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O
MolPort-022-148-515 0.79 OC(=O)CC1(CC1)C(O)=O
MolPort-044-723-983 0.79 [N+].[N+].OC(C(O)C([O-])=O)C([O-])=O
MolPort-044-875-850 0.79 C[C@H]([C@H](O)C(O)=O)C(O)=O
MolPort-003-939-878 0.79 O.O[C@@H]([C@@H](O)C(O)=O)C(O)=O
MCULE-3406831466 0.79 C1(O)C(OC)=CC(C(=O)OCCCCNC(=N)N)=CC=1OC
MolPort-003-910-433 0.79 CC(O)(CC(O)=O)C(O)=O
MolPort-046-194-936 0.79 [NH4+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O
MolPort-046-417-415 0.79 C.C.O[C@H]([C@@H](O)C(O)=O)C(O)=O
MolPort-039-140-888 0.79 N.N.O[C@H]([C@@H](O)C(O)=O)C(O)=O
MolPort-046-701-777 0.79 O[C@@H]([C@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O
MolPort-046-691-475 0.79 [2H]C([2H])(C(O)=O)C([2H])(O)C(O)=O
MolPort-022-373-273 0.79 CC(O)(C(O)=O)C(C)(O)C(O)=O
MolPort-022-148-515 0.79 OC(=O)CC1(CC1)C(O)=O
MCULE-9070330060 0.78 Cl.C1(O)C(OC)=CC(C(=O)OCCCCNC(=N)N)=CC=1OC
MolPort-046-690-731 0.78 [13CH3][13C](=O)[13CH2]CC(O)=O
MolPort-046-683-352 0.78 OC[C@@H](O)CC(O)=O
MolPort-025-499-185 0.78 OCCC1(CC1)C(O)=O
MolPort-006-120-502 0.78 CC(O)CCC(O)=O
MolPort-022-366-948 0.78 CC(=O)CC(C)(C)C(O)=O
MolPort-011-284-700 0.78 CC(CC(O)=O)C(C)=O
MolPort-030-004-878 0.78 CC(C)(CO)[C@@H](O)C(O)=O
MolPort-001-919-208 0.78 CC(=O)C(C)(C)CC(O)=O
MolPort-001-786-399 0.78 CC(CC(C)=O)C(O)=O
MolPort-000-871-621 0.78 CC(=O)CCC(O)=O
MolPort-025-499-185 0.78 OCCC1(CC1)C(O)=O
MolPort-030-004-878 0.78 CC(C)(CO)[C@@H](O)C(O)=O
MolPort-046-690-731 0.78 [13CH3][13C](=O)[13CH2]CC(O)=O
MolPort-022-366-948 0.78 CC(=O)CC(C)(C)C(O)=O
MolPort-046-683-352 0.78 OC[C@@H](O)CC(O)=O
MCULE-5805214039 0.76 C1(O)C(OC)=CC(=CC=1OC)C(OCCCCC)=O
MCULE-5823972821 0.76 COC1=C(OC)C(OC)=CC(C(OC(CC(C)C)C)=O)=C1
MolPort-001-783-063 0.75 CCC(CC)C(O)=O
MolPort-046-765-901 0.75 [MgH2].CCCC(O)=O.CCCC(O)=O
MolPort-000-153-786 0.75 OC(=O)C1CC1
MolPort-006-112-248 0.75 [Na+].[Na+].OC(CC([O-])=O)C([O-])=O
MolPort-039-138-025 0.75 O.[Na+].[Na+].OC(CC([O-])=O)C([O-])=O
MolPort-012-194-011 0.75 CCC(C(C)C)C(O)=O
MolPort-046-761-645 0.75 [Mg++].CCCC([O-])=O
MolPort-006-112-617 0.75 [K+].[K+].OC(C(O)C([O-])=O)C([O-])=O
MolPort-022-368-995 0.75 CC(C)C(C(O)=O)C(C)(C)C
MolPort-009-680-940 0.75 [K+].OC(C(O)C([O-])=O)C(O)=O
MolPort-019-905-135 0.75 O.O.[Na+].[Na+].OC(C(O)C([O-])=O)C([O-])=O
MolPort-013-430-300 0.75 CCC(CC)(CC)C(O)=O
MolPort-020-006-847 0.75 [Ni++].OC(C(O)C([O-])=O)C([O-])=O
MolPort-003-928-192 0.75 O.O.[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
MolPort-006-123-079 0.75 CCC(C)(CC)C(O)=O
MolPort-001-770-270 0.75 [Na+].CCCC([O-])=O
MolPort-046-761-645 0.75 [Mg++].CCCC([O-])=O
MolPort-001-763-793 0.75 CC1(CC1)C(O)=O
MolPort-044-561-564 0.75 [LiH].C[C@@](O)(CC(O)=O)C(O)=O
MolPort-046-765-901 0.75 [MgH2].CCCC(O)=O.CCCC(O)=O
MolPort-046-589-213 0.75 [Li+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O
MolPort-019-905-135 0.75 O.O.[Na+].[Na+].OC(C(O)C([O-])=O)C([O-])=O
MolPort-022-368-995 0.75 CC(C)C(C(O)=O)C(C)(C)C
MolPort-019-905-507 0.75 [Pb++].OC(C(O)C([O-])=O)C([O-])=O
MolPort-039-138-025 0.75 O.[Na+].[Na+].OC(CC([O-])=O)C([O-])=O
MolPort-006-117-162 0.75 [Ca++].CCCC([O-])=O.CCCC([O-])=O
MolPort-046-589-213 0.75 [Li+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O
MolPort-020-006-847 0.75 [Ni++].OC(C(O)C([O-])=O)C([O-])=O
MolPort-003-938-710 0.75 [Na+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O
MolPort-003-935-554 0.75 O.[Cu++].OC(C(O)C([O-])=O)C([O-])=O
MolPort-003-939-084 0.75 [Na+].[Na+].OC(C(O)C([O-])=O)C([O-])=O
MolPort-044-561-564 0.75 [LiH].C[C@@](O)(CC(O)=O)C(O)=O
MolPort-019-905-507 0.75 [Pb++].OC(C(O)C([O-])=O)C([O-])=O
MolPort-006-111-941 0.75 [K+].[K+].OC(CC([O-])=O)C([O-])=O
MolPort-035-942-033 0.74 C[C@@]1(O)C[C@@H](C1)C(O)=O
MolPort-046-162-723 0.74 [Na+].CC(C)(O)CCC([O-])=O
MolPort-023-278-781 0.74 CC1(O)CC(C1)C(O)=O
MolPort-016-578-700 0.74 OCC1(CC(O)=O)CC1
MolPort-046-766-001 0.74 OC[C@H](O)[C@@H](O)C([O-])=O
MolPort-030-085-818 0.74 CC1(CC(=O)C1)C(O)=O
MolPort-030-004-547 0.74 OC(=O)C12CC(O)(C1)C2
MolPort-023-278-781 0.74 CC1(O)CC(C1)C(O)=O
MolPort-028-765-706 0.74 [K+].CC(C)(O)CCC([O-])=O
MolPort-035-942-033 0.74 C[C@@]1(O)C[C@@H](C1)C(O)=O
MolPort-035-942-034 0.74 C[C@]1(O)C[C@@H](C1)C(O)=O
MolPort-019-906-271 0.74 O[C@H]1C[C@H](C1)C(O)=O
MolPort-019-906-270 0.74 O[C@H]1C[C@@H](C1)C(O)=O
MolPort-028-746-063 0.74 O.O.[Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O
MolPort-046-766-001 0.74 OC[C@H](O)[C@@H](O)C([O-])=O
MolPort-046-162-723 0.74 [Na+].CC(C)(O)CCC([O-])=O
MolPort-042-622-947 0.74 [Na+].CC(C)(CO)[C@@H](O)C([O-])=O
MolPort-044-658-467 0.74 [Na+].CC(C)(CO)C(O)C([O-])=O
MolPort-030-004-890 0.74 [Na+].CC(O)CCC([O-])=O
MolPort-028-746-063 0.74 O.O.[Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O
MolPort-028-765-706 0.74 [K+].CC(C)(O)CCC([O-])=O
MolPort-030-004-890 0.74 [Na+].CC(O)CCC([O-])=O
MolPort-044-658-467 0.74 [Na+].CC(C)(CO)C(O)C([O-])=O
MolPort-003-987-863 0.74 OC1CC(C1)C(O)=O
MolPort-019-906-271 0.74 O[C@H]1C[C@H](C1)C(O)=O
MolPort-000-876-904 0.74 OC(=O)C1CC(=O)C1
MolPort-019-906-270 0.74 O[C@H]1C[C@@H](C1)C(O)=O
MolPort-042-622-947 0.74 [Na+].CC(C)(CO)[C@@H](O)C([O-])=O
MolPort-030-004-547 0.74 OC(=O)C12CC(O)(C1)C2
MolPort-003-937-750 0.74 [Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O
MolPort-006-149-710 0.74 [Li+].CC(C)(CO)C(O)C([O-])=O
MolPort-030-085-818 0.74 CC1(CC(=O)C1)C(O)=O
MolPort-035-942-034 0.74 C[C@]1(O)C[C@@H](C1)C(O)=O
MCULE-4681398536 0.72 COC1=C(OC)C=C(C(OCC2CC2)=O)C=C1
MCULE-9441678169 0.72 COC1=C(OC)C(OC)=CC(C(OC2CC(C)CCC2)=O)=C1
MolPort-027-634-775 0.71 CC(C)C(CO)C(O)=O
MolPort-019-996-925 0.71 [Cl-].OC(=O)C1CC1
MolPort-022-367-167 0.71 CC(C)(C)C(C)(O)C(O)=O
MolPort-020-173-707 0.71 CCC1(CC1)C(O)=O
MolPort-000-881-553 0.71 OC(=O)CC(CC(O)=O)C(O)=O
MolPort-046-647-127 0.71 C[C@@H](C(O)=O)C(C)(C)O
MolPort-022-364-882 0.71 CCC(CO)C(O)=O
MolPort-003-931-928 0.71 CC(C)(C)[C@H](O)C(O)=O
MolPort-028-950-584 0.71 CC(C)(C)C(CO)C(O)=O
MolPort-028-747-556 0.71 [Mg++].CCC(CC)C([O-])=O.CCC(CC)C([O-])=O
MolPort-044-628-498 0.71 CC(C)CC(CC(O)=O)C(O)=O
MolPort-022-907-374 0.71 CC(C)C1(CC1)C(O)=O
MolPort-029-279-154 0.71 CCC(C)(CO)C(O)=O
MolPort-046-765-842 0.71 [2H]C([2H])([2H])C([2H])([2H])C(CO)C(O)=O
MolPort-046-703-416 0.71 [Na+].[Na+].[Sb+3].[Sb+3].[O-]C(C([O-])C([O-])=O)C([O-])=O.[O-]C(C([O-])C([O-])=O)C([O-])=O
MolPort-038-949-000 0.71 CC(C)(C)CC(CC(O)=O)C(O)=O
MolPort-019-995-545 0.71 [Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
MolPort-001-788-417 0.71 CC(=O)CC(O)=O
MolPort-023-220-215 0.71 O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
MolPort-023-221-328 0.71 [K+].[Sb+3].OC(C(O)C([O-])=O)C([O-])=O.OC(C(O)C([O-])=O)C([O-])=O
MolPort-023-221-328 0.71 [K+].[Sb+3].OC(C(O)C([O-])=O)C([O-])=O.OC(C(O)C([O-])=O)C([O-])=O
MolPort-046-647-127 0.71 C[C@@H](C(O)=O)C(C)(C)O
MolPort-003-936-628 0.71 CC(C)(O)CC(O)=O
MolPort-012-883-646 0.71 CC(C)C(C)(O)C(O)=O
MolPort-001-770-814 0.71 CCC(CO)(CO)C(O)=O
MolPort-020-173-707 0.71 CCC1(CC1)C(O)=O
MolPort-001-769-869 0.71 CC(C)[C@@H](O)C(O)=O
MolPort-006-394-461 0.71 CC(O)C(C)C(O)=O
MolPort-022-907-374 0.71 CC(C)C1(CC1)C(O)=O
MolPort-022-367-167 0.71 CC(C)(C)C(C)(O)C(O)=O
MolPort-003-824-844 0.71 C[C@@H](O)CC(O)=O
MolPort-003-800-351 0.71 CCC(C)(O)C(O)=O
MolPort-000-003-934 0.71 CC(C)[C@H](O)C(O)=O
MolPort-003-927-028 0.71 CC(O)CC(O)=O
MolPort-006-114-042 0.71 CC(C)(C(O)=O)C(C)(CC(O)=O)C(O)=O
MolPort-038-949-000 0.71 CC(C)(C)CC(CC(O)=O)C(O)=O
MolPort-046-703-416 0.71 [Na+].[Na+].[Sb+3].[Sb+3].[O-]C(C([O-])C([O-])=O)C([O-])=O.[O-]C(C([O-])C([O-])=O)C([O-])=O
MolPort-044-628-498 0.71 CC(C)CC(CC(O)=O)C(O)=O
MolPort-019-995-545 0.71 [Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
MolPort-023-220-215 0.71 O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
MolPort-006-115-861 0.71 CC(C)(C)C(O)C(O)=O
MolPort-046-765-842 0.71 [2H]C([2H])([2H])C([2H])([2H])C(CO)C(O)=O
MolPort-003-936-425 0.71 CC[C@@H](O)C(O)=O
MolPort-022-364-882 0.71 CCC(CO)C(O)=O
MolPort-003-936-471 0.71 CC[C@H](O)C(O)=O
MolPort-003-936-472 0.71 C[C@H](O)CC(O)=O
MolPort-000-557-723 0.71 CC(C)C(O)C(O)=O
MolPort-027-634-775 0.71 CC(C)C(CO)C(O)=O
MolPort-006-701-061 0.71 CC(C)(C)[C@@H](O)C(O)=O
MolPort-001-790-609 0.71 CC(=O)CCCO
MolPort-001-792-044 0.71 CCC(=O)C(O)=O
MolPort-028-950-584 0.71 CC(C)(C)C(CO)C(O)=O
MolPort-003-987-792 0.71 CC(C)(C)C(=O)C(O)=O
MolPort-028-747-556 0.71 [Mg++].CCC(CC)C([O-])=O.CCC(CC)C([O-])=O
MolPort-006-112-355 0.71 CC(C)C(=O)C(O)=O
MolPort-019-996-925 0.71 [Cl-].OC(=O)C1CC1
MolPort-029-279-154 0.71 CCC(C)(CO)C(O)=O
MCULE-7341974526 0.71 CCC1(C(OC(C2=CC(OC)=C(OC)C(OC)=C2)=O)CC1OC)CC
MCULE-8029414068 0.71 COC1=C(OC)C(OC)=C(C(OCC(C(C)(C)C)=O)=O)C=C1
MCULE-4945487194 0.71 COC1=C(OC)C=C(C(OCC(C(C)(C)C)=O)=O)C(OC)=C1
MCULE-4454324969 0.71 CCOC1=C(OCC)C(OCC)=CC(C(OCC(C(C)(C)C)=O)=O)=C1
MCULE-5343453436 0.71 C1C(C(OCCCCCCCCN(CC)CC)=O)=CC(OC)=C(OC)C=1OC
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