SANC00347 Kraussianone 4




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-038-386-090 0.80 COC1C(OC2=C3C(=O)C(OC)(OC3=C3C=CC(C)(C)OC3=C12)C1=C(O)C=C(O)C=C1)C(C)(C)O
MolPort-028-610-192 0.80 COC1=C(C=C(C(O)=C1)C(C)(C)C=C)C1COC2=CC3=C(C=CC(C)(C)O3)C(O)=C2C1=O
MCULE-6407927193 0.80 C12OC(C)(C)C=CC1=C1OC(OC)(C3C=CC(O)=CC=3O)C(=O)C1=C1OC(C(O)(C)C)C(OC)C=21
MCULE-1274766602 0.79 C12OC(C)(C)C=CC=1C(O)=C1C(=O)C(C3C=CC(O)=C(C/C=C(\C)/C)C=3OC)COC1=C2
MolPort-028-610-191 0.79 COC1=C(C=CC(O)=C1CC=C(C)C)C1COC2=CC3=C(C=CC(C)(C)O3)C(O)=C2C1=O
MolPort-046-627-181 0.78 CC1(C)OC2=C(C=C1)C(O)=CC=C2C1COC2=CC(O)=CC(O)=C2C1=O
MolPort-046-153-075 0.78 COC1=C(C=CC(O)=C1CC=C(C)C)C1COC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O
MolPort-046-508-969 0.78 CC1(C)OC2=CC=C(C3COC4=CC(O)=CC(O)=C4C3=O)C(O)=C2C=C1
MCULE-2359559021 0.78 C1(O)C=C2OCC(C3C4OC(C)(C)C=CC=4C(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-9169599513 0.78 C1C(O)=C2C(=O)C(C3C(O)=C4C=CC(C)(C)OC4=CC=3)COC2=CC=1O
MCULE-4302664705 0.78 C12OC(C)(C)C=CC1=C1OCC(C3C=CC(O)=C(C/C=C(\C)/C)C=3OC)C(=O)C1=C(O)C=2
MolPort-006-668-592 0.76 COC1=CC2=C(C=C1OC)[C@@]1(O)[C@@H](CO2)OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O
MCULE-8324168398 0.76 C12C(=O)[C@@]3(O)C4C=C(OC)C(OC)=CC=4OC[C@@]3([H])OC=1C1C=CC(C)(C)OC=1C=C2O
MCULE-2505641333 0.76 C1(O)C=C2O[C@]3([H])OC4C=C(O)C=CC=4[C@]3(O)C(=O)C2=C(O)C=1C/C=C(\C)/C
MolPort-046-153-717 0.76 CC(C)=CCC1=C(O)C=C2O[C@@H]3OC4=C(C=CC(O)=C4)[C@]3(O)C(=O)C2=C1O
MolPort-001-741-495 0.75 COC1=C(OC)C=C2C(OC[C@H]3OC4=C(C=CC5=C4C=CC(C)(C)O5)C(=O)[C@@]23O)=C1
MCULE-5773910433 0.75 C1=C2OC(C)(C)C=CC2=C2O[C@]3([H])COC4C=C(OC)C(OC)=CC=4[C@]3(O)C(C2=C1)=O
MCULE-6234375391 0.75 C12OC(C)(C)C=CC1=C1OCC(C3C=CC(O)=CC=3O)C(=O)C1=C(O)C=2C/C=C(\C)/C
MolPort-028-610-189 0.75 CC(C)=CCC1=C2OC(C)(C)C=CC2=C2OCC(C(=O)C2=C1O)C1=C(O)C=C(O)C=C1
MCULE-9073834674 0.74 C12C(O)=C(C/C=C(/C)\C)C3=C(C=CC(C)(C)O3)C=1OCC(C1C=CC(=CC=1)O)C2=O
MolPort-046-158-390 0.74 COC1=C(OC)C=C2[C@H]3[C@@H](COC2=C1)OC1=C2C=CC(C)(C)OC2=CC(O)=C1C3=O
MolPort-002-515-798 0.74 CC(C)=CCC1=C(O)C2=C(OCC(C2=O)C2=CC=C(O)C=C2)C2=C1OC(C)(C)C=C2
MolPort-039-338-542 0.73 CC1(C)OC2=CC(O)=C3C(=O)C(O)C(OC3=C2C=C1)C1=CC=C(O)C=C1
MCULE-8872050190 0.73 C12OC(C)(C)C=CC1=C1OC(C3C=CC(O)=CC=3)C(O)C(=O)C1=C(O)C=2
MCULE-1452609789 0.73 CC1(C)OC2C=CC3C(=O)[C@@H]4[C@@H](COC5C4=CC(OC)=C(OC)C=5)OC=3C=2C=C1
MCULE-7284753234 0.73 C12OC(C)(C)C=CC1=C1O[C@]3([H])COC4C(=CC(OC)=C(OC)C=4)[C@]3([H])C(=O)C1=CC=2
MolPort-003-665-481 0.73 COC1=C(OC)C=C2[C@H]3[C@@H](COC2=C1)OC1=C(C=CC2=C1C=CC(C)(C)O2)C3=O
MolPort-042-675-206 0.70 CC1(C)OC2=CC3=C(C=C2C=C1)C1(O)COC2=CC(O)=CC=C2C1O3
MCULE-9443831383 0.68 C1C(O)=C2CC(O)C(C3C=CC(O)=CC=3)OC2=C2C3(OC4C=C(O)C=C(O)C=4C3=O)C(O)(C3C=CC(O)=CC=3)OC=12
MolPort-005-945-929 0.68 OC1CC2=C(O)C=C3OC(O)(C4=CC=C(O)C=C4)C4(OC5=C(C4=O)C(O)=CC(O)=C5)C3=C2OC1C1=CC=C(O)C=C1
MCULE-9287060270 0.67 C1C(OC)=C2C(C[C@H](C3=CC=CC=C3)OC2=C2C=CC(C)(C)OC2=1)=O
MCULE-7192747858 0.67 C12C(=O)CC(C3C=CC=CC=3)OC1=C1C=CC(C)(C)OC1=CC=2OC
MolPort-002-915-672 0.67 COC1=CC2=C(C=CC(C)(C)O2)C2=C1C(=O)CC(O2)C1=CC=CC=C1
MolPort-001-741-496 0.67 COC1=C2C(=O)C[C@@H](OC2=C2C=CC(C)(C)OC2=C1)C1=CC=CC=C1
MolPort-039-338-249 0.66 COC1=C2C[C@@H](COC2=CC2=C1C=CC(C)(C)O2)C1=CC=C(O)C=C1O
MolPort-046-153-039 0.66 CC1(C)OC2=CC(O)=C3C(=O)C[C@@H](OC3=C2C=C1)C1=CC=CC=C1
MCULE-6995621349 0.66 C12OC(C)(C)C=CC=1C(OC)=C1C[C@H](C3C(O)=CC(O)=CC=3)COC1=C2
MCULE-1679439172 0.66 C1C(O)=C2C(C[C@H](C3=CC=CC=C3)OC2=C2C=CC(C)(C)OC2=1)=O
MCULE-7253619613 0.66 C1=C2C(CC(C(=C)C)O2)=C2OC3C(OC4C=C(OC)C(OC)=CC=4C3(O)C(C2=C1O)=O)O
MolPort-005-944-647 0.66 COC1=C(OC)C=C2C(OC(O)C3OC4=C(C(O)=CC5=C4CC(O5)C(C)=C)C(=O)C23O)=C1
MolPort-005-944-851 0.65 CCCC(CC(O)=O)C1=C2OC(C)(C)C=CC2=C(O)C2=C1OC(C)C(C)C2=O
MolPort-035-706-145 0.65 CCCC(CC(O)=O)C1=C2OC(C)(C)C=CC2=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O
MolPort-039-338-394 0.65 CC1(C)OC2=C(C=C1)C=C1C(=O)C[C@H](OC1=C2)C1=CC=C(O)C=C1
MolPort-005-934-878 0.65 CC1(C)OC2=CC=C3C[C@@H](COC3=C2C=C1)C1=C(O)C=C(O)C=C1
MolPort-039-338-239 0.65 CC1(C)OC2=C(C=C1)C1=C(C=C2)[C@@H]2COC3=CC(O)=CC=C3[C@@H]2O1
MolPort-005-944-850 0.65 CCCC(CC(O)=O)C1=C2OC(C)(C)C=CC2=C2O[C@H](C)[C@H](C)C(=O)C2=C1O
MCULE-8523283829 0.65 C1=CC2=C(OC1(C)C)C(C(CC(=O)O)CCC)=C1OC(C)C(C)C(=O)C1=C2O
MCULE-1785374409 0.65 C12OC(C)(C)C=CC=1C=C1C(=O)C[C@@H](C3C=CC(O)=CC=3)OC1=C2
MCULE-4622514659 0.65 OC1C=C(O)C([C@H]2CC3C=CC4OC(C)(C)C=CC=4C=3OC2)=CC=1
MCULE-8855649227 0.65 C12C(=CC=C3C[C@@H](COC=13)C1=CC=C(C=C1O)O)OC(C=C2)(C)C
MCULE-9625680158 0.65 C1(O)C=C2OC[C@@]3([H])C4C=CC5OC(C)(C)C=CC=5C=4O[C@@]3([H])C2=CC=1
MCULE-2648300001 0.65 C1=CC2=C(OC1(C)C)C(C(CC(=O)O)CCC)=C(O)C1=C2O[C@H](C)[C@H](C)C1=O
MolPort-042-624-497 0.65 CC1(C)OC2=C(C=C1)C(O)=CC=C2[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-001-802-949 0.64 COC1=CC=C(C(=O)CC(O)=O)C2=C1C=CC(C)(C)O2
MCULE-6966159864 0.64 C12OC(C)(C)C=CC=1C(=CC=C2C(=O)CC(O)=O)OC
MCULE-1186888176 0.64 O=C1C2=C(C=C3C(=C2)OCO3)OCC1=CC1=CC2=C(OCC2)C=C1
MolPort-044-261-032 0.64 O=C1C(COC2=CC3=C(OCO3)C=C12)=CC1=CC=C2OCCC2=C1
MCULE-7566435001 0.63 C12OC(C)(CC/C=C(\C)/C)C=CC=1C(O)=C1C(=O)C[C@@H](C3C=CC(O)=CC=3O)OC1=C2
MCULE-3002316905 0.63 C1=C2O[C@@H](C(=C)C)CC2=C2O[C@]3([H])C(O)OC4C=C(OC)C(OC)=CC=4[C@]3([H])C(C2=C1)=O
MCULE-6860848752 0.63 C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC4OC(C)(C)C=CC=4C=3)CC(=O)C2=C(O)C=1
MCULE-8605141998 0.63 C1(OC)C(/C=C/C(O)(C)C)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1
MolPort-039-337-124 0.63 CC(C)=CCCC1(C)OC2=C(C=C1)C(O)=C1C(=O)C[C@H](OC1=C2)C1=C(O)C=C(O)C=C1
MolPort-005-944-928 0.63 COC1=C(OC)C=C2[C@H]3[C@H](OC4=C(C=CC5=C4C[C@@H](O5)C(C)=C)C3=O)C(O)OC2=C1
MolPort-044-754-116 0.63 CC(C)=CCC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=CC2=C(OC(C)(C)C=C2)C=C1
MolPort-019-937-421 0.63 COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1\C=C\C(C)(C)O)C1=CC=CC=C1
MolPort-005-945-935 0.63 OC1CC2=C(O)C=C3OC(C4=CC=C(O)C=C4)C4(OC5=C(C4=O)C(O)=CC(O)=C5)C3=C2OC1C1=CC=C(O)C=C1
MolPort-019-937-107 0.62 COC1=CC2=C(C=C1OC)C1(O)C(CO2)OC2=C3CC(OC3=CC(O)=C2C1=O)C(C)=C
MolPort-039-101-214 0.62 COC1=CC2=C(OCC3OC4=C5CC(OC5=CC=C4C(=O)C23O)C(=C)CO)C=C1O
MCULE-4757777373 0.62 C1C(O)=C2C(=O)C3(O)C4C=C(OC)C(OC)=CC=4OCC3OC2=C2CC(C(C)=C)OC=12
MCULE-1272584864 0.62 C1C=C2C(=O)C3(O)C4C=C(OC)C(O)=CC=4OCC3OC2=C2CC(C(CO)=C)OC=12
MCULE-9463670847 0.62 C12(C3C=CC=CC=3)C(=O)C3C=CC(=CC=3OC1(O2)C)OC
MCULE-7038902165 0.62 C1=C2O[C@H](C(=C)C)CC2=C2O[C@@]3([H])COC4C=C(OC)C(OC)=CC=4[C@@]3(O)C(C2=C1)=O
MCULE-3163340921 0.62 C1C=C2C(=O)[C@@]3(O)C4C=C(OC)C(OC)=CC=4OC[C@@]3([H])OC2=C2C[C@H](C(CO)=C)OC=12
MCULE-3802090242 0.62 C1(O)C=C2O[C@H](C3C=CC4OC(C)(CC/C=C(\C)/C)C=CC=4C=3O)CC(=O)C2=C(O)C=1
MolPort-001-741-494 0.62 COC1=C(OC)C=C2C(OC[C@@H]3OC4=C(C=CC5=C4C[C@H](O5)C(C)=C)C(=O)[C@]23O)=C1
MolPort-021-804-664 0.62 COC1=CC2=C(C=C1OC)[C@@]1(O)[C@@H](CO2)OC2=C3C[C@@H](OC3=CC=C2C1=O)C(=C)CO
MolPort-039-338-221 0.62 CC(C)=CCCC1(C)OC2=C(C=C1)C(O)=C(C=C2)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-001-741-799 0.61 O[C@H]1[C@@H](OC2=C([C@H]3[C@@H](OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1
MolPort-035-706-511 0.61 CCCC1CC(=O)OC2=C(C(=O)C(C)C(C)O)C(O)=C3C=CC(C)(C)OC3=C12
MCULE-4287681592 0.61 C1(C=C2O[C@@H](C3C=CC(=CC=3)O)[C@H](C3C(O)=CC(O)=C4C(=O)[C@@H](O)[C@H](C5C=CC(O)=CC=5)OC=34)C(C2=C(O)C=1)=O)O
MCULE-4116517746 0.61 C12C=CC(C)(C)OC1=C1C(CCC)CC(=O)OC1=C(C(=O)C(C(O)C)C)C=2O
MCULE-7271133303 0.61 C1(OC)C(/C=C/C(O)(C)C)=C2OC(C3C=CC=CC=3)CC(=O)C2=CC=1
MolPort-019-937-364 0.61 COC1=CC=C2C(=O)CC(OC2=C1\C=C\C(C)(C)O)C1=CC=CC=C1
MolPort-044-242-977 0.60 O=C1C(COC2=CC=CC=C12)=CC1=CC=C2OCCC2=C1
MolPort-028-610-187 0.60 COC1=C(C=C(C(O)=C1)C(C)(C)C=C)C1COC2=CC(O)=C(CC=C(C)C)C(O)=C2C1=O
MCULE-2856098560 0.60 O=C1C2=C(C=CC=C2)OCC1=CC1=CC2=C(OCC2)C=C1
MCULE-5996392590 0.60 C1(O)C(OC2C(=C(O)C3=C(C=2)OC(C2C=CC(O)=CC=2)C23OC3C(C2=O)=C(O)C=C(O)C=3)C1)C1C=CC(O)=C(O)C=1
MCULE-8360387045 0.60 C1(O)C=C2OCC(C3C=C(C(C)(C)C=C)C(O)=CC=3OC)C(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-9361535115 0.60 C1(O)C=C2OCC(C3C=CC(O)=C(C/C=C(\C)/C)C=3OC)C(=O)C2=C(O)C=1C/C=C(\C)/C