SANC00852 Methyl caffeate




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-4825386658 1 C(=CC1=CC=C(C(O)=C1)O)C(OC)=O
MCULE-5269580490 1 C1(=C(C=CC(=C1)/C=C/C(=O)OC)O)O
MCULE-2639296166 0.96 C1(O)C(O)=CC(C=CC(OCC)=O)=CC=1
MCULE-6271208728 0.96 C1(O)C=C(/C=C/C(=O)OCC)C=CC=1O
MCULE-6094055690 0.94 C(OC)(=O)C=CC1=CC=CC(O)=C1
MCULE-5916017124 0.91 O=C(OCC)/C=C/C1C=CC=C(O)C=1
MCULE-1633691755 0.91 C(OCC)(C=CC1C=CC=C(O)C=1)=O
MCULE-7533572392 0.90 C(=CC1C=CC(=C(O)C=1)OC)C(OC)=O
MCULE-7654618031 0.90 C(=CC1C=CC(=CC=1)O)C(OC)=O
MCULE-2069871168 0.90 C(O)(=O)C=CC1=CC=C(C(O)=C1)O
MCULE-5757199598 0.90 C1(O)C=C(/C=C/C(=O)OC)C=CC=1OC
MCULE-8717776291 0.90 COC(/C=C/C1C=CC(O)=CC=1)=O
MCULE-9406290643 0.90 C1C=C(/C=C/C(=O)OC(/C=C/C2C=C(O)C(O)=CC=2)=O)C=C(O)C=1O
MCULE-7843599914 0.90 C(O)(=O)/C=C/C1=CC=C(C(O)=C1)O
MCULE-1297302420 0.88 C(=CC1C=CC(O)=C(OC)C=1)C(OC)=O
MCULE-7084750759 0.88 C1(=C(C=CC(=C1)/C=C/C(=O)OC)O)OC
MolPort-039-339-068 0.87 COc1cc(C)c2c(oc(CC(C)=O)cc2=O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)cc1
MolPort-039-339-068 0.87 COc1cc(C)c2c(oc(CC(C)=O)cc2=O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)cc1
MCULE-8291716022 0.87 C1(O)C=C(/C=C/C(=O)OCC)C=CC=1OC
MCULE-2959640396 0.87 C(=CC1C=CC(=CC=1)O)C(OCC)=O
MCULE-2249067422 0.87 C1C=C(/C=C/C(=O)OCC)C=CC=1O
MCULE-6517390288 0.86 C(=CC(OC)=O)C1C=C(O)C=CC=1O
MCULE-1327640373 0.86 O(C)C(=O)/C=C/C1=C(C=CC(O)=C1)O
MCULE-2994486927 0.85 C(=C/C1C=CC(=C(OC)C=1)OC)\C(OC)=O
MCULE-5006038728 0.85 C(O)(=O)/C=C/C1C=CC=C(O)C=1
MCULE-4743217929 0.85 C1(=C(C=CC(=C1)C=CC(=O)OCC)O)OC
MCULE-8928982037 0.85 C1(OC)C=C(/C=C/C(=O)OCC)C=CC=1O
MCULE-1947701492 0.85 C(=CC1C=CC(=C(OC)C=1)OC)C(OC)=O
MCULE-2569094851 0.85 C(O)(=O)C=CC1C=CC=C(O)C=1
MCULE-6858443755 0.85 C1(O)C=C(/C=C/COC)C=CC=1O
MCULE-3227837163 0.84 O=C(/C=C/C1C=C(OC)C(O)=CC=1)OC(C)C
MCULE-9394957877 0.84 C(=CC1C=CC=C(OC)C=1)C(OC)=O
MolPort-039-339-067 0.83 COc1cc(C)c2c(oc(C[C@@H](C)O)cc2=O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)cc1
MolPort-039-339-067 0.83 COc1cc(C)c2c(oc(C[C@@H](C)O)cc2=O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)cc1
MCULE-7925803308 0.83 C(=CC1C=CC(=C(OC)C=1)OC)C(OCC)=O
MCULE-4571364221 0.83 COC1=C(O)C=C(C=CC(O)=O)C=C1
MCULE-2906396849 0.83 O=C(/C=C/C1C=C(OC)C(O)=C(OC)C=1)OC
MCULE-7013523945 0.83 C1=C(OC)C(O)=CC(=C1)/C=C/C(=O)O
MolPort-019-937-281 0.82 CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)\C=C\c3ccc(O)cc3)c2o1
MolPort-019-937-281 0.82 CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)\C=C\c3ccc(O)cc3)c2o1
MCULE-6132995974 0.82 CCOC(C=CC1=CC(OC)=CC=C1)=O
MCULE-3790454540 0.82 C(=CC1=CC=C(C=C1)OC)C(OC)=O
MCULE-5938473801 0.81 C(OC(C)C)(=O)C=CC1=CC=C(C(OC)=C1)OC
MCULE-8442047802 0.81 C(O)(=O)/C=C/C1=CC=C(C(OC)=C1)O
MCULE-2647951649 0.81 C(O)(=O)C=CC1=CC=C(O)C(O)=C1O
MCULE-2590309260 0.81 C(O)(=O)C=CC1=CC=C(C=C1)O
MCULE-8675181272 0.81 O=C(/C=C/C1C=C(OC)C(O)=CC=1)OC/C=C/C1C=C(OC)C(O)=CC=1
MCULE-6127598109 0.81 C(O)(=O)C=CC1=CC=C(C(OC)=C1)O
MCULE-3302207880 0.81 C1(O)=CC=C(C=CC(=O)OCC=CC2C=CC(O)=C(OC)C=2)C=C1OC
MCULE-9551292063 0.81 C(O)(=O)/C=C/C1=CC=C(C=C1)O
MCULE-7539638665 0.80 CCOC(C=CC1=CC=C(OC)C=C1)=O
MCULE-9094428143 0.80 [Na+].C([O-])(=O)C=CC1=CC=C(O)C(OC)=C1
MCULE-4113907065 0.80 C(=CC1=CC=CC(OCC)=C1)C(OC)=O
MCULE-3421702175 0.80 C1(OC)=C(OC)C(=CC(/C=C/C(=O)OC)=C1)OC
MCULE-5476569550 0.80 [Na+].COC1C=C(/C=C/C(=O)[O-])C=CC=1O
MCULE-6770320666 0.80 C1(OC)=C(OC)C=C(C=C1OC)C=CC(OC)=O
MCULE-5863166290 0.80 C1(OC)=C(O)C(OC)=CC(/C=C/C(=O)OCC)=C1
MCULE-7411005425 0.80 CCOC(C=CC1=CC(OC)=C(O)C(OC)=C1)=O
MCULE-3659493926 0.80 C1C=C(/C=C/C(=O)OCC)C=CC=1OC
MCULE-8435564843 0.80 CCOC1=C(OC)C=C(C=CC(OC)=O)C=C1
MCULE-8387463530 0.80 OC1=C(O)C=CC=C1C=CC(O)=O
MCULE-5134512966 0.79 C(O)(=O)C=CC1C=CC(=C(OC)C=1)OC
MCULE-3982495166 0.79 COC(C=CC1=CC(OC)=C(OC(C)C)C=C1)=O
MCULE-1562931521 0.79 CCOC1=C(OCC)C=C(C=CC(OC)=O)C=C1
MCULE-4648711215 0.79 C1=C(OC)C(OC)=CC(/C=C/C(=O)O)=C1
MCULE-4305805410 0.79 C(OC)(C=CC1C=C(OC)C=C(OC)C=1)=O
MCULE-6096090529 0.79 COC(C=CC1=CC2=C(C=C(C=C2)OC)C=C1)=O
MCULE-6613332253 0.78 CCOC(C=CC1=CC=C(OC)C2=C1C=CC=C2)=O
MCULE-5234076176 0.78 CCOC(C=CC1=CC(OC)=C(OCC)C=C1)=O
MCULE-5752702758 0.78 C(O)(=O)C=CC1=CC=CC(OC)=C1
MCULE-3400598023 0.78 C(=CC1=CC=CC(OCC)=C1)C(OCC)=O
MCULE-2527166131 0.78 C(=CC1C=CC=C(C=1)OC1=CC=CC=C1)C(OC)=O
MCULE-6328875398 0.77 C1(O)C=C(C(O)=CC=1)C=CC(=O)O
MCULE-9707776041 0.77 CCOC(C=CC1=CC=C(OCC)C=C1)=O
MCULE-3659200170 0.77 C1(=CC=C(/C=C(\C(=O)OC)/C(=O)OC)C=C1)O
MCULE-8793591909 0.77 C(OC(C)C)(=O)C=CC1=CC=CC(OCC)=C1
MCULE-5289107821 0.77 C(OCC)(C=CC1=CC(OC)=CC(OC)=C1)=O
MCULE-9346625991 0.77 COC(C(C#N)=CC1=CC(O)=CC=C1)=O
MCULE-2483911454 0.77 C1C=C(/C=C/C(=O)OC)C=CC=1
MCULE-1030097873 0.77 COC(C=CC1=CC=CC=C1)=O
MCULE-2090134479 0.77 C1(O)C=C(/C=C/C(=O)O)C(O)=CC=1
MCULE-5170571415 0.76 COC1=C(OC(C)C)C=CC(C=CC(OC(C)C)=O)=C1
MCULE-5384523851 0.76 CCOC(C=CC1=CC(OC)=C(OC(C)C)C=C1)=O
MCULE-6465000630 0.76 C1C=C(/C=C/C(=O)OCC)C=CC=1
MCULE-8395432408 0.76 CCOC(C=CC1=CC=CC=C1)=O
MCULE-2717097631 0.76 C(=CC1C=CC(=C(Cl)C=1)O)C(OC)=O
MCULE-8999355764 0.76 C1=C(O)C(C=CC(=O)OC(C)C)=CC=C1
MCULE-1335506941 0.76 COC1C(O)=C(OC)C=C(/C=C/C(=O)O)C=1
MCULE-4807121652 0.76 C1(O)=C(C)C=C(C=C1OC)C([H])=C([H])C(O)=O
MCULE-5892286449 0.76 C(OCCC1=CC=CC=C1)(=O)/C=C/C1=CC=C(O)C(O)=C1
MCULE-6112659813 0.76 COC1=C(O)C(OC)=CC(C=CC(O)=O)=C1
MCULE-5129503846 0.76 C1(=CC2=CC=CC=C2C=C1O)C=CC(OCC)=O
MCULE-4915693180 0.76 C(OC(C)C)(=O)C=CC1=CC=C(C=C1)OCC
MCULE-7815011628 0.76 CCOC(C=CC1=CC(OCC)=C(OCC)C=C1)=O
MCULE-5902675061 0.76 C(OC(C)C)(=O)C=CC1=CC=C(C(OC)=C1)OCC
MCULE-4178365007 0.76 C(OCCC1=CC=CC=C1)(=O)C=CC1=CC=C(O)C(O)=C1
MCULE-4172745258 0.75 C1(C=O)=CC(=CC=C1O)C=CC(OC)=O
MCULE-9113273606 0.75 C1C=C2C=C(C=CC(=O)OCC)C=CC2=CC=1
MCULE-5813337301 0.75 C(C1C=CC=C2C=CC=CC=12)=CC(OC)=O
MCULE-2560342671 0.75 C12C=C(C=CC=1OCO2)C=CC(OC)=O
MCULE-3604470298 0.75 C1(C=CC=CC=1)C=CC(=O)OC(C)C
MCULE-9897112956 0.75 C1(/C=C/C(OC(C)(C)C)=O)=CC=CC=C1
MCULE-6022384798 0.75 C1(OC)C=C(/C=C/COC)C=CC=1O
MCULE-2454886969 0.75 C1(O)C=C(/C=C/C(OCCCCCCCCCCCCCCCCCC)=O)C=CC=1O
MCULE-1723949511 0.75 C(OC(C)C)(=O)C=CC1C=CC(=C(OCC)C=1)OCC
MCULE-7037163379 0.75 COC(C=CC1=CC2=C(C=CC=C2)C=C1)=O
MCULE-9031259584 0.75 C1(=C2C=CC=CC2=CC2C=CC=CC1=2)C=CC(OC)=O
MCULE-3047237533 0.75 COC(C=CC1=CC(OC)=C(OCCO)C=C1)=O
MCULE-3283632849 0.75 C(C)(C(O)=O)=CC1C=CC(=C(OC)C=1)OC
MCULE-5301588795 0.75 C(=CC1C=CC=C(C=1)OC1C=CC=CC=1)C(OCC)=O
MCULE-6993960877 0.75 C(O)(=O)/C=C/C1=CC=C(C=C1)OC
MCULE-4456423689 0.75 C(O)(=O)C=CC1=CC=C(C=C1)OC
MCULE-1168886289 0.75 C(/C#N)(\C(O)=O)=C/C1C=CC(O)=C(O)C=1
MCULE-8914274512 0.75 C(CCCCCCCCCC)CCCCCCCCCCCOC(=O)/C=C/C1C=C(O)C(O)=CC=1
MCULE-7812166455 0.75 C(C1C=CC=C2C=CC=CC=12)=CC(OCC)=O
MCULE-1174854441 0.74 COC1=C(OC)C=C(C=CC(OCC#N)=O)C=C1
MCULE-2852384973 0.74 C(=CC1=CC=C(C(OC)=C1)OCC(C)C)C(OC)=O
MCULE-7614619109 0.74 C(OC(C)C)(=O)C=CC1C=CC=C(C=1)OC1C=CC=CC=1
MCULE-6800666719 0.74 C(O)(=O)C=CC1C=CC(=C(OC)C=1)OCC
MCULE-5153601925 0.74 COC(C=CC1=CC(OC)=C(OC(F)F)C=C1)=O
MCULE-8351376607 0.74 C1(OC)C(OC)=CC(=CC=1OC)/C=C/C(O)=O
MCULE-2475786053 0.74 O=C(/C=C/C1C=C(OC)C=C(O)C=1)O
MCULE-1952313672 0.74 C12C=CC=CC=1C(=CC=C2C=CC(O)=O)OC
MCULE-2475203381 0.74 C(=CC1C=CC(C)=CC=1)C(OC)=O
MCULE-9669475860 0.74 C1(OC)C(OC)=CC(=CC=1OC)C=CC(O)=O
MCULE-1766189090 0.74 C(=CC1=CC=C(C(OC)=C1)OCCC)C(OC)=O
MCULE-6200966556 0.74 C1=C(C=CC(=O)OC)C=CC(C=CC(=O)OC)=C1
MCULE-4680058595 0.74 COC1=CC(C=C(C(O)=O)C)=CC=C1
MCULE-9498783535 0.74 C(O)(=O)C=CC1C=CC=C(OCC)C=1
MCULE-3907582871 0.74 C(OC)(=O)/C=C/C1=CC=C(C)C=C1
MCULE-7768753045 0.73 [Na+].C1(OC)=CC(=CC(OC)=C1OC)C=CC([O-])=O
MCULE-2482402150 0.73 CCOC(C=CC1=CC2=C(OCO2)C=C1)=O
MCULE-3333629868 0.73 C(O)(=O)/C=C/C1C=C(OC)C=C(OC)C=1
MCULE-3201962056 0.73 CCOC1=C(OC)C=CC(C=CC(O)=O)=C1
MCULE-9284982880 0.73 C(O)(=O)/C=C/C1=CC=C(C=C1)OCC
MCULE-8506904750 0.73 COC(C=CC1=CC(C)=CC=C1)=O
MCULE-4995102542 0.73 C(C#N)(C(OC)=O)=CC1C=CC(=C(OC)C=1)O
MCULE-2800917117 0.73 C(O)(=O)C=CC1=CC=CC(OC(C)C)=C1
MCULE-9877794165 0.73 C(F)(F)(F)OC1=CC=C(C=C1)C=CC(OC)=O
MCULE-2740776573 0.73 C(O)(=O)C=CC1C=C(OC)C=C(OC)C=1
MCULE-1594342569 0.73 C(O)(=O)C=CC1=CC=C(C=C1)OCC
MCULE-4587107863 0.73 O=C(/C=C/C1C=CC=CC=1)OCC=C
MCULE-6561984320 0.73 O=C(OC)/C=C/C1C=CC=C(C)C=1
MCULE-6519208436 0.73 C(C#N)(=CC1C=CC(=CC=1)O)C(OC)=O
MCULE-9156764072 0.73 C(O)(=O)C=CC1=CC=C(C(OCC)=C1)OCC
MCULE-4978969608 0.73 CCOC(C=CC1=CC=C(C)C=C1)=O
MCULE-3880403828 0.73 C1C(C=CC(=O)OCC=C)=CC=CC=1
MCULE-9909014796 0.73 C1(C=CC=CC=1)C=C(C)C(=O)OC
MCULE-9574272269 0.73 O=C(/C=C/C1C(O)=C(OC)C=CC=1)O
MCULE-2542199611 0.73 C1(C=CC(=CC=1OC)C=CC(O)=O)OC(C)C
MCULE-4884367254 0.73 C(C1C=CC=C2C=CC=CC=12)=CC(OC(C)C)=O
MCULE-8276197336 0.73 COC(C=CC1=C(OC)C=CC(OC)=C1)=O
MCULE-6355537535 0.73 COCCOC1=C(OC)C=C(C=CC(OC)=O)C=C1
MCULE-5657158883 0.73 COC1=CC=C(OC(C=CC2=CC(OC)=C(OC)C=C2)=O)C=C1
MolPort-001-741-982 0.73 CC1OC(Oc2cc(O)c3c(oc(cc3=O)-c3ccc(O)cc3)c2C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
MCULE-4027340164 0.72 C(=C/C1=CC=C(C=C1)O)(\C(O)=O)/C(O)=O
MCULE-5448240219 0.72 COC(C=CC1=C(F)C=C(O)C=C1)=O
MCULE-2004373121 0.72 CCCOC1=CC=C(C=CC(OCC)=O)C=C1
MCULE-6911603172 0.72 C1=C(OC)C(=CC(C=CC(=O)O)=C1)OC(C)C
MCULE-8054733396 0.72 CCCOC1=C(OC)C=C(C=CC(OCC)=O)C=C1
MCULE-3595855195 0.72 C(=O)(OC1=CC=CC=C1)C=CC1C=CC(=C(OCC)C=1)OCC
MCULE-5498733356 0.72 C(=CC1=CC=CC=C1)C(OCC=CC1C=CC=CC=1)=O
MCULE-2744888729 0.72 C(OC(C)C)(=O)C=CC1C=CC(=CC=1)OCCC
MCULE-6021519548 0.72 C(=O)(OC1=CC=C(C(C)=C1)C)C=CC1=CC=C(C(OC)=C1)OC
MCULE-6447164989 0.72 C1(=C(OC)C=CC(/C=C/C(=O)OC)=C1OC)OC
MCULE-5928432180 0.72 C(=CC1=CC=C(C=C1)OC)(C(OC)=O)C(O)=O
MCULE-2056837249 0.72 CC(OC(C=CC1=CC=C(C)C=C1)=O)C
MCULE-9572420523 0.72 C(=O)(OC1=CC=C(C=C1)C)C=CC1C=CC(=C(OCC)C=1)OCC
MCULE-1742179073 0.72 C(=O)(OC1=CC(C)=CC(C)=C1)C=CC1=CC=C(C(OC)=C1)OC
MCULE-1057313976 0.72 C(C)(=CC1=CC=C(C=C1)OC)C(O)=O
MCULE-8901806840 0.72 OC(/C=C/C1C=CC(O)=CC=1O)=O
MCULE-7439568885 0.72 C(C#N)(C(OCC)=O)=CC1=CC=CC(O)=C1
MCULE-8185613810 0.72 C1C=C(/C=C/C(=O)OC/C=C/C2C=CC=CC=2)C=CC=1
MCULE-9987567980 0.72 C1(C=C(C=CC=1O)/C=C/C(=O)C)O
MCULE-1719949673 0.72 C1C2=C(OCCO2)C=C(C=1)/C=C/C(=O)OC
MCULE-3070556455 0.72 C(CC)(=CC1C=CC=C(O)C=1)C(O)=O
MCULE-8734758113 0.72 C12C=C(C=CC=1OCCO2)C=CC(OC)=O
MCULE-2673913201 0.72 C1(OC)=C(OC)C=CC(=C1OC)C=CC(OC)=O
MCULE-6781383769 0.72 OC(C=CC1=CC=C(OCC=C)C=C1)=O
MCULE-3020705351 0.72 C12=CC=CC=C1C(=CC=C2C=CC(O)=O)OCC
MCULE-3239458209 0.72 COC1=CC2=C(C=C(C=C2)C=CC(O)=O)C=C1
MCULE-4474652685 0.72 COC1=C(O)C=CC(C=CC(OCC2=CC=C(COC(C=CC3=CC(OC)=C(O)C=C3)=O)C=C2)=O)=C1
MCULE-2705718395 0.72 COC1=C(OCC=C)C=CC(C=CC(O)=O)=C1
MCULE-5167468347 0.72 C(=O)(OC1C=CC=C(C)C=1)C=CC1=CC=C(C=C1)OC
MCULE-7674649726 0.72 C(O)(=O)C=CC1C=CC(=CC=1)OC(C)C
MCULE-3405575059 0.72 C(=O)(OC1=CC=C(C=C1)C)C=CC1C=CC(=CC=1)OC
MCULE-7505734728 0.72 C(=O)(OC1=CC=CC=C1)C=CC1=CC=C(C=C1)OCC
MCULE-9716894670 0.72 C(C1C=CC(=CC=1O)O)=CC(O)=O
MCULE-4524676206 0.72 C1(C=CC(=CC=1OCC)C=CC(O)=O)OC(C)C
MCULE-5169610903 0.72 C(OC(C)C)(=O)C=CC1=CC=C(C(OC)=C1)OCCC
MCULE-4968878198 0.71 C(=O)(OC1C=CC=C(C)C=1)C=CC1C=CC(=C(OCC)C=1)OCC
MCULE-1823540360 0.71 C12C=C(C=CC=1OCO2)C=CC(O)=O
MCULE-3800576155 0.71 C(=O)(OC1=CC(C)=CC(C)=C1)C=CC1C=CC(=CC=1)OCC
MCULE-7856049791 0.71 C1C(C=C(C(=O)OC)OC)=CC(OC)=C(O)C=1
MCULE-3982554378 0.71 COC1=C(OC)C=C(C=CC(OCC2=CC=CC=C2)=O)C=C1
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