ID: 42232
SMILES:C1C(O)C(CCC=C(C)C)(C)Oc2cc(-c3ccccc3)cc(CCCCC)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.583
CB1 binding score: -15.433
InChIKey:QLLLTBIHGGSADK-UHFFFAOYSA-N
ID: 42233
SMILES:O=C1OC(CC=C(CCC=C(C)C)C)=C(C)C1C(c1c(O)cc(CCCCC)cc1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -12.769
InChIKey:PTPIDXWOBCBRJE-UHFFFAOYSA-N
ID: 42234
SMILES:CCC(C)(C)c1c(-c2ccc(Cl)cc2)cc2c(c1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 425.012
CB1 binding score: -16.089
InChIKey:GBTZPWLWCGQHJD-UHFFFAOYSA-N
ID: 42235
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -16.661
InChIKey:GCQXNVWMIJKFKP-UHFFFAOYSA-N
ID: 42236
SMILES:C(CCCC(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)O)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.122
InChIKey:ZYWIVHJWIPYSJQ-UHFFFAOYSA-N
ID: 42237
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 42238
SMILES:C(C)(=O)C1CC2C(C)(C=C1)Oc1c(c(O)cc(CCCCC)c1)C2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.715
InChIKey:UUSDOUOLHOHVTP-UHFFFAOYSA-N
ID: 42239
SMILES:C(C1=CC2C(C(C)(C)Oc3cc(CCCCCC)cc(O)c32)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.687
InChIKey:WUKPITZIDDNGJC-UHFFFAOYSA-N
ID: 42240
SMILES:C1C(C)(C)OC(C(C)c2c(OC)c3c(cc2O)OC2(C)C(C3)C(C(CCC=C(C)C)C)CC2)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.721
CB1 binding score: -16.813
InChIKey:GOZJZMZKWXJIMB-UHFFFAOYSA-N
ID: 42241
SMILES:C1CC(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -18.844
InChIKey:PWPQLXXOFXROSJ-UHFFFAOYSA-N
ID: 42242
SMILES:C12C(C)(Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C1)CCC2(OC(=O)C)C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -15.329
InChIKey:ZLKXVSQKAQFFFN-UHFFFAOYSA-N
ID: 42243
SMILES:C(CCc1cc2c(c(O)c1)C1C(O)(CC(C)C1=O)OC2(C)C)(CCCC(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -12.821
InChIKey:VHQSAFMCAXMOJN-UHFFFAOYSA-N
ID: 42244
SMILES:C(c1ccc(O)c2c1OC(C)(C)C1CCC(=C)C21)COC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.065
InChIKey:YLWBBJVKPCRYCX-UHFFFAOYSA-N
ID: 42245
SMILES:C12(C)CCC=C(C)CC=C1C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.283
InChIKey:LCHQIUMSMDARSQ-UHFFFAOYSA-N
ID: 42246
SMILES:CC1(C)C2C(c3c(O)cc(C)cc3O1)C(C(=O)C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.302
InChIKey:NKVFYPNSXOBYGZ-UHFFFAOYSA-N
ID: 42247
SMILES:c1(C)cc(OC(C(C)=C)=O)c(C2C=C(C)CCC2C(=C)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -12.816
InChIKey:PLZSCGXXXUUFFO-UHFFFAOYSA-N
ID: 42248
SMILES:C(C=C(CCC=C(C)C)C)c1c(O)cc(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -16.476
InChIKey:SVTKUSUUTGMJAO-UHFFFAOYSA-N
ID: 42249
SMILES:c12cc(CCCCC)cc(O)c1C1OC(CCC=C(C)C)(C)C(C1)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.028
InChIKey:ZRDDTNLCQNFLIB-UHFFFAOYSA-N
ID: 42250
SMILES:Oc1c(CC=C(C)C)c(O)c(C(CC(C)C)=O)c2c1C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -13.81
InChIKey:LCYOBCTUKNXKJB-UHFFFAOYSA-N
ID: 42251
SMILES:C1(C)=CCCC(C)=CC2C(CC1)C(C)(C)Oc1cc(C)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -17.574
InChIKey:DEQGUUYQYWJKCT-UHFFFAOYSA-N
ID: 42252
SMILES:CC1(C)CCc2c(O)cc(CCCCC)c(C(=O)O)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -17.406
InChIKey:SMPZXIFHTKJOLC-UHFFFAOYSA-N