SANC00696 Agrandol




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-039-338-752 0.92 COC1=C(O)C=C(O)C(=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C(CC=C(C)C)=C2O1
MCULE-6062655870 0.92 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C(O)=CC(O)=C(OC)C=3)CC(=O)C2=C(O)C=1
MCULE-8739063782 0.92 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(OC)=C(O)C=3)CC(=O)C2=C(O)C=1
MolPort-039-338-285 0.92 COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C(CC=C(C)C)=C2O1
MolPort-001-741-320 0.91 COC1=CC(=CC=C1O)C1CC(=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2O1
MCULE-2163904316 0.91 C1(O)C=C2C(C(CC(C3=CC(OC)=C(O)C=C3)O2)=O)=C(C=1C/C=C(\C)/C)O
MolPort-039-339-003 0.89 CC(C)=CCC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1
MolPort-002-510-365 0.89 CC(C)=CCC1=C(O)C=C(O)C2=C1O[C@@H](CC2=O)C1=CC=CC=C1
MolPort-000-760-008 0.89 CC(C)=CCC1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=CC=C1
MolPort-004-955-124 0.89 CC(C)=CCC1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=C(O)C=C1
MCULE-3864605326 0.89 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-3002934523 0.89 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-9858151978 0.89 C12C(C/C=C(/C)\C)=C(O)C=C(O)C=1C(CC(C1=CC=CC=C1)O2)=O
MCULE-9919244870 0.89 C1(C2OC3C(C/C=C(\C)/C)=C(O)C=C(O)C=3C(C2)=O)=CC=C(O)C=C1
MCULE-1693566586 0.89 C12C(C/C=C(/C)\C)=C(O)C=C(O)C=1C(C[C@@H](C1=CC=CC=C1)O2)=O
MCULE-8473479842 0.89 OC1C(C/C=C(\C)/C)=CC(=CC=1OC)C1OC2C(C(=O)C1)=C(C=C(C=2)O)O
MolPort-005-945-639 0.89 COC1=CC(=CC(CC=C(C)C)=C1O)C1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-039-339-001 0.88 CC(C)=CCC1=C(O)C(CC=C(C)C)=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-006-668-563 0.88 CC(C)=CCC1=C2O[C@@H](CC(=O)C2=CC=C1O)C1=CC=C(O)C=C1
MCULE-7018809823 0.88 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-3021933663 0.88 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1
MCULE-9052045784 0.87 C1(OC)C(C/C=C(\C)/C)=C2C(C(=O)C[C@H](O2)C2C=CC=CC=2)=C(C=1)OC
MCULE-5729797705 0.87 C12OC(CC(=O)C=1C(OC)=CC(O)=C2C/C=C(\C)/C)C1C=CC(O)=CC=1
MCULE-3686350370 0.87 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=C(C/C=C(/C)\C)C(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-1825001608 0.87 C1(O)C(C/C=C(/C)\C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-8750784705 0.87 C12C(=O)C[C@H](OC=1C=C(C(C/C=C(/C)\C)=C2O)O)C1C=CC=CC=1
MCULE-1883133712 0.87 C12C(=O)CC(OC1=CC(=C(C/C=C(/C)\C)C=2O)O)C1C=CC=CC=1
MCULE-7506688119 0.87 C12C(=O)CC(OC1=CC(=C(C/C=C(/C)\C)C=2O)O)C1=CC=C(C=C1)OC
MCULE-1448234011 0.87 C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MolPort-044-754-118 0.87 CC(C)=CCC1=CC(=CC=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O)C(CC=C(C)C)=C2O1
MolPort-039-337-096 0.87 COC1=CC(O)=C(CC=C(C)C)C2=C1C(=O)CC(O2)C1=CC=C(O)C=C1
MolPort-023-275-753 0.87 COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1CC=C(C)C)C1=CC=CC=C1
MolPort-039-339-032 0.87 COC1=C2C(=O)C[C@H](OC2=C(CC=C(C)C)C(O)=C1)C1=CC=C(O)C=C1
MolPort-002-511-009 0.87 CC(C)=CCC1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=CC=C1
MolPort-001-742-622 0.87 COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2O1
MolPort-001-742-504 0.87 CC(C)=CCC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-039-337-136 0.86 CC(C)=CCC1=C(O)C=C(O)C2=C1O[C@@H](CC2=O)C1=C(O)C=C(O)C=C1
MolPort-046-153-774 0.86 CC(C)=CCC1=CC(=CC(CC=C(C)C)=C1O)[C@@H]1CC(=O)C2=CC=C(O)C(CC=C(C)C)=C2O1
MolPort-046-156-414 0.86 CC(C)=CCC1=C(O)C=CC(=C1)[C@@H]1CC(=O)C2=C(O1)C(CC=C(C)C)=C(O)C=C2
MCULE-7617295584 0.86 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C(O)=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-1583442011 0.86 C1(O)C(C/C=C(/C)\C)=C2O[C@H](C3C=C(C/C=C(/C)\C)C(O)=C(C/C=C(\C)/C)C=3)CC(=O)C2=CC=1
MCULE-4067098142 0.86 C12C(=C(O)C=CC=1C(=O)C[C@@H](C1C=CC(O)=C(C/C=C(/C)\C)C=1)O2)C/C=C(\C)/C
MCULE-3842882003 0.86 OC1C=CC([C@H]2OC3C(C(=O)C2)=CC(C/C=C(\C)/C)=C(OC)C=3)=CC=1
MCULE-1880910154 0.86 [C@H]1(C2=CC=C(O)C=C2)OC2=CC(OC)=C(C/C=C(\C)/C)C=C2C(=O)C1
MCULE-4652067575 0.86 C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1C/C=C(\C)/C
MCULE-5659982548 0.86 [C@H]1(C2=CC=C(O)C=C2)OC2=CC(O)=C(C/C=C(\C)/C)C=C2C(=O)C1
MolPort-005-944-956 0.86 COC1=C(CC=C(C)C)C=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-035-705-963 0.86 CC(C)=CCC1=C(O)C=C2O[C@@H](CC(=O)C2=C1)C1=CC=C(O)C=C1
MolPort-039-338-719 0.85 CC(C)=CCC1=C(O)C(CC=C(C)C)=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1O
MCULE-4617683717 0.85 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C(O)=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-4193299594 0.85 C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1OC
MolPort-039-052-506 0.85 COC1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-005-945-286 0.85 COC1=C(O)C=C2O[C@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-039-338-620 0.84 COC1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=CC=C1
MolPort-001-740-631 0.84 COC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=CC=C1
MCULE-9660679251 0.84 C1(O)C=C2OC(CC(C2=C(O)C=1OC)=O)C1C=CC=CC=1
MCULE-3601358321 0.84 C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1OC
MCULE-9646906067 0.84 C1(O)C=C2O[C@H](C3C(O)=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-6612299602 0.84 C1(O)C=C2O[C@H](C3C=CC(OC)=C(C/C=C(\C)/C)C=3)CC(=O)C2=C(O)C=1
MCULE-2650174810 0.84 O(C)C1=C(C=C([C@H]2OC3C(C(=O)C2)=C(C=C(C=3)O)O)C=C1C/C=C(\C)/C)C/C=C(\C)/C
MCULE-9485581712 0.84 C1(O)C=C2C(C(CC(C3C=CC(O)=C(C/C=C(\C)/C)C=3)O2)=O)=C(O)C=1
MolPort-039-338-651 0.84 CC(C)=CCC1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1O
MolPort-005-945-465 0.84 COC1=C(CC=C(C)C)C=C(C=C1CC=C(C)C)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-039-337-155 0.84 COC1=C(CC=C(C)C)C=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-006-668-332 0.84 CC(C)=CCC1=C(O)C=CC(=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-001-740-177 0.84 CC(C)=CCC1=CC(=CC(CC=C(C)C)=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
MCULE-6924983703 0.83 C12C(=O)C[C@H](OC=1C(=C(OC)C(C/C=C(\C)/C)=C2OC)C/C=C(\C)/C)C1C(OC)=CC(=CC=1OC)OC
MCULE-4551144105 0.83 C1(O)C=C2C(C(CC(C3C=CC(O)=C(C/C=C(/C)\C)C=3)O2)=O)=CC=1
MolPort-000-165-380 0.83 CC(C)=CCC1=C(O)C=CC(=C1)C1CC(=O)C2=CC=C(O)C=C2O1
MolPort-039-339-000 0.82 CC(C)=CCC\C(C)=C\CC1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1
MCULE-4558837172 0.82 C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/CC/C=C(\C)/C
MCULE-2232530891 0.82 C1(OC)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1OC
MCULE-1539908631 0.82 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-3335674808 0.82 OC1C=CC([C@@H]2OC3C(C(=O)[C@H]2O)=C(O)C=C(O)C=3C/C=C(\C)/C)=CC=1
MolPort-039-338-699 0.82 COC1=C(OC)C(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=CC=C1
MolPort-019-936-989 0.82 CC(C)=CCC1=C2O[C@H]([C@H](O)C(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1
MolPort-039-142-006 0.82 CC(C)=CCC1=C(O)C=C(O)C2=C1O[C@@H]([C@@H](O)C2=O)C1=CC=CC=C1
MolPort-023-279-019 0.81 COC1=CC(=CC(O)=C1OC)[C@@H]1CC(=O)C2=C(O)C(OC)=C(O)C=C2O1
MCULE-8000658254 0.81 C1(O)C=C2O[C@H](C3C=C(O)C(OC)=C(OC)C=3)CC(=O)C2=C(O)C=1OC
MCULE-1890542536 0.81 C1(O)C2C(CC(C3C=C(O)C(OC)=CC=3)OC=2C=C(OC)C=1OC)=O
MCULE-6997931016 0.81 C1(O)C(C/C=C(\CC/C=C(\C)/C)/C)=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(O)C=1
MCULE-9462328387 0.81 C1(C2OC3C(=C(OC(C)=O)C=C(C=3C/C=C(\C)/C)OC(C)=O)C(=O)C2)=CC=CC=C1
MCULE-8169575133 0.81 C12C(C/C=C(/C)\C)=C(OC(C)=O)C=C(OC(C)=O)C=1C(C[C@@H](C1C=CC=CC=1)O2)=O
MCULE-6923632463 0.81 C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1O
MCULE-4193314774 0.81 OC1=C2C(C[C@@H](C3C=CC=CC=3)OC2=C(OC)C(OC)=C1)=O
MCULE-8847685016 0.81 COC1C=C(O)C(OC)=C2C=1C(CC(C1C=CC=CC=1)O2)=O
MCULE-9602960797 0.81 C1(O)C(OC)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1
MolPort-039-338-602 0.81 CC(C)=CCC\C(C)=C/CC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1
MolPort-002-512-355 0.81 CC(C)=CCC1=C(OC(C)=O)C=C(OC(C)=O)C2=C1O[C@@H](CC2=O)C1=CC=CC=C1
MolPort-035-683-131 0.81 COC1=CC(O)=C2C(=O)C[C@H](OC2=C1OC)C1=CC=CC=C1
MolPort-005-944-620 0.81 COC1=CC(O)=C2C(=O)CC(OC2=C1OC)C1=CC=CC=C1
MolPort-046-687-425 0.81 OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=CC(O)=C(O)C=C2O1
MolPort-039-052-403 0.81 COC1=C2C(=O)C[C@H](OC2=C(OC)C(O)=C1)C1=CC=CC=C1
MolPort-001-742-743 0.81 OC1=C(O)C(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=CC=C1
MolPort-046-158-530 0.80 COC1=C(O)C=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1
MCULE-5742809714 0.80 C1(OC)C(OC)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1O
MCULE-8139621595 0.80 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(OC)C=1
MCULE-3324355674 0.80 C1(C=C2OC(CC(C2=C(O)C=1)=O)C1=CC=C(O)C(OC)=C1)O
MCULE-9587381415 0.80 C1(O)C=C2O[C@H](C3C=C(OC)C(O)=CC=3)CC(=O)C2=C(O)C=1
MolPort-039-338-316 0.80 COC1=C(O)C(OC)=C2C(=O)C[C@H](OC2=C1OC)C1=CC=CC=C1
MolPort-042-624-490 0.80 COC1=C2C(=O)[C@H](O)[C@H](OC2=C(CC=C(C)C)C(O)=C1)C1=CC=C(O)C=C1
MolPort-046-153-732 0.79 COC1=CC(=CC=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-001-740-728 0.79 COC1=C(O)C=CC(=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-046-153-729 0.79 OC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=CC(O)=C(O)C=C2O1
MolPort-035-683-128 0.79 COC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=C(O)C=CC=C1
MCULE-9922758733 0.79 C1(O)C(OC)=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(O)C=1
MCULE-8635359097 0.79 C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=CC=1O
MCULE-6273466258 0.79 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1C/C=C(\C)/C
MolPort-039-337-122 0.79 CC(C)=CCC1=C(O)C2=C(O[C@@H]([C@@H](O)C2=O)C2=C(O)C=C(O)C=C2)C(CC=C(C)C)=C1O
MolPort-039-338-750 0.78 CC(C)=CC[C@H](CC1=C2O[C@@H](CC(=O)C2=C(O)C(CC=C(C)C)=C1O)C1=C(O)C=C(O)C=C1)C(C)=C
MolPort-019-937-559 0.78 COC1=C(O)C=C2O[C@@H]([C@@H](O)C(=O)C2=C1)C1=CC=CC=C1
MolPort-039-338-703 0.78 CC(C)=CCC1=C(O)C(O)=C(CC=C(C)C)C(=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-046-158-531 0.78 COC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC(OC)=C(O)C=C1
MolPort-044-723-238 0.78 COC1=C2C(=O)C[C@H](OC2=C(OC)C(O)=C1)C1=C(O)C=CC=C1
MCULE-8162303332 0.78 C1(O)C(C[C@H](C(=C)C)C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(O)C=1C/C=C(/C)\C
MCULE-9022426858 0.78 C1(O)C=C2OC(C3C(C/C=C(/C)\C)=C(O)C(O)=C(C/C=C(\C)/C)C=3)CC(=O)C2=C(O)C=1
MCULE-1702737025 0.78 C1(O)C(OC)=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(OC)C=1
MCULE-2028448851 0.78 C1(O)C=C2O[C@@H](CC(=O)C2=C(O)C=1)C1C=CC(OC)=C(O)C=1
MCULE-7131810532 0.78 C12C(O)=CC(=CC=1O[C@@H](CC2=O)C1C=CC(=C(O)C=1)OC)O
MCULE-2236290715 0.78 C12=C(O)C=C(O)C=C1O[C@H](CC2=O)C1=CC=C(OC)C(O)=C1
MCULE-9044534531 0.78 C12C(O)=CC(O)=CC=1OC(CC2=O)C1C=CC(OC)=C(O)C=1
MCULE-9396529091 0.78 C1(O)C=C2OC(CC(=O)C2=C(O)C=1)C1C=CC(OC)=C(O)C=1
MCULE-8678602121 0.78 C1(O)=CC(O)=C2C(CC(C3C=CC(O)=C(O)C=3)OC2=C1)=O
MCULE-1688833251 0.78 C1(O)C=C2O[C@H](C3C=C(O)C(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-3225229511 0.78 C1(O)C(O)=CC([C@H]2OC3C=C(O)C=C(O)C=3C(=O)C2)=CC=1
MCULE-1243164622 0.78 C12C=C(OC)C=CC=1OC(C1=CC=C(OC)C=C1)CC2=O
MolPort-002-893-747 0.78 COC1=C(O)C=C(C=C1)[C@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-003-665-801 0.78 COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-001-741-418 0.78 COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
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