ID: 109432
SMILES:CC(Oc1cc(CCCCC)cc2c1C1C(C(C)(CCC=C(C)C)O1)CC=C(C)C2=O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -15.22
InChIKey:FPJNQVQJDBJRMZ-UHFFFAOYSA-N
ID: 109433
SMILES:C1CC(C(C)=C)C(c2cc(CC[N+](=C(C)C)C(O)=O)cc(C)c2)C2=C1C(=O)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.561
CB1 binding score: -15.374
InChIKey:YKHPUSYFFHWTAU-UHFFFAOYSA-O
ID: 109434
SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 109435
SMILES:C1(O)C(C)=CC(c2c(OC)cc(CCCCC)cc2OC)C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -19.065
InChIKey:BFJQFUSTVUHSNX-UHFFFAOYSA-N
ID: 109436
SMILES:c12ccc(O)c(c1)CCC(O)(C)C1OC(C)(C)C2C=C1CO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -15.706
InChIKey:DVRROIIPFKWPHM-UHFFFAOYSA-N
ID: 109437
SMILES:Oc1c(C(C(C)CC)=O)c2c(c(OC)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.59
InChIKey:ZTVDSUOGJVAFCC-UHFFFAOYSA-N
ID: 109438
SMILES:CC(C)C1C(c2c(O)cc(CCC)cc2O)CC(C)(O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.446
CB1 binding score: -17.878
InChIKey:KRMPZHOEHTYDJK-UHFFFAOYSA-N
ID: 109439
SMILES:C(C)(C)c1cc2c(cc1Br)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 349.312
CB1 binding score: -15.567
InChIKey:KHWAVQIDLJXBAY-UHFFFAOYSA-N
ID: 109440
SMILES:O=C(OC1C2C(C(C)(C)Oc3cc(CCCCC)cc(OC)c32)CCC1C(=C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.576
InChIKey:BRJXDJJWHNKEKF-UHFFFAOYSA-N
ID: 109441
SMILES:C(=C(C)CC1OC(c2c(O)c(O)cc(CCCCC)c2)CC(C)(O)C1)C(CC(=C)C(=O)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -15.12
InChIKey:FKOTUEAUQMLJIX-UHFFFAOYSA-N
ID: 109442
SMILES:c1(C(C)(C)C)cc(CC2(C)C3(C)CC(=O)CC3CC=C2)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.583
InChIKey:MEOTVVSOYLRMKA-UHFFFAOYSA-N
ID: 109443
SMILES:C1(C)(C)C2CCC(C)CC2c2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.987
InChIKey:QYNCMPYNYFYQFE-UHFFFAOYSA-N
ID: 109444
SMILES:C1C(O)C(C)(C)Oc2c(O)c(O)cc(CCCCC)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.364
CB1 binding score: -15.595
InChIKey:QXDKYMCSQYLXLA-UHFFFAOYSA-N
ID: 109445
SMILES:OC(C)(C1Oc2c(c(O)cc(CCCCC)c2)C2CC(C)(O)CCC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -16.524
InChIKey:MRQGAVINTQBMGC-UHFFFAOYSA-N
ID: 109446
SMILES:C1(C)=CCC(C)(C)C=CCC2(C)Oc3c(c(O)cc(C(C(C(C)CC)=O)CC=C)c3)CC=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -14.578
InChIKey:VMAVHWROEDSEJT-UHFFFAOYSA-N
ID: 109447
SMILES:c1(Br)cc2c(cc1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.23
CB1 binding score: -18.306
InChIKey:HTFNXHQGRQXUTG-UHFFFAOYSA-N
ID: 109448
SMILES:c1oc2cc(CCCCC)ccc2c1C1C=C(CO)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -20.577
InChIKey:QFMSNDYOXMUFIZ-UHFFFAOYSA-N
ID: 109449
SMILES:C(CC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 109450
SMILES:C(CCCc1cc2c(c(O)c1)C=CC(C)(C)O2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 109451
SMILES:Oc1c(OC)c(C(C)C)cc2c1CC1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.655
InChIKey:QYOHSQDOCNWGBN-UHFFFAOYSA-N
ID: 109452
SMILES:C1C(O)C(=C)CC2C1C(C)(C)Oc1cc(CCCCC)cc(OC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.381
InChIKey:JZNWDVSFQVOBSB-UHFFFAOYSA-N