ID: 113716
SMILES:Oc1c(C2C(C(C)C)CC=C(C)C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.27
InChIKey:WPJGAEFIBVPIDI-UHFFFAOYSA-N
ID: 113717
SMILES:C(CCC(C)CO)C(=CCc1c(O)cc(C)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -16.89
InChIKey:BIHKVBSTUPSLKO-UHFFFAOYSA-N
ID: 113718
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.334
InChIKey:KIPJJELHTVRVLI-UHFFFAOYSA-N
ID: 113719
SMILES:C(C)(C)(O)C1CCC(C)=CC1c1c(OC)cc(CCCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -18.045
InChIKey:UTHXLLZUVREPAA-UHFFFAOYSA-N
ID: 113720
SMILES:Oc1ccc(CCCCCC)cc1OC(C)(C1CCC(C)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -14.674
InChIKey:ZJBBOUQIUJAOPT-UHFFFAOYSA-N
ID: 113721
SMILES:c1(O)c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 113722
SMILES:CC1CC2c3c(cc(CCCCCC)cc3OC1)C1C=CCC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -17.66
InChIKey:WDIFHYRLPQPRHW-UHFFFAOYSA-N
ID: 113723
SMILES:C1(=C)C(=O)OC2C3(O)C(C)(CC(O)C12)Oc1c3c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 374.433
CB1 binding score: -13.401
InChIKey:MWHWKPHFHWMELG-UHFFFAOYSA-N
ID: 113724
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C(C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.42
CB1 binding score: -14.605
InChIKey:IBIAIEWDFJFULX-UHFFFAOYSA-N
ID: 113725
SMILES:CC1(CCC2(C)C=Cc3c(cc(OC)cc3C)O2)CCC(C(C)(O)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.432
InChIKey:LPFCEMKASBDUMQ-UHFFFAOYSA-N
ID: 113726
SMILES:C1(c2c(O)cc(CCCCC)cc2OC)C=C(C(OC)=O)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.024
InChIKey:GZBDOTKTTZNHDF-UHFFFAOYSA-N
ID: 113727
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1OC2CCC(=C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.463
InChIKey:XRPVGTKVVXJWSZ-UHFFFAOYSA-N
ID: 113728
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CCCCCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.685
CB1 binding score: -20.79
InChIKey:DCMUJCFANMFBTN-UHFFFAOYSA-N
ID: 113729
SMILES:c1cc(CCc2cc(O)c(C3C(C(C)=C)CCC(C)=C3)c(O)c2)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -18.334
InChIKey:QLPVCOQUNQFEAZ-UHFFFAOYSA-N
ID: 113730
SMILES:C(c1cc(O)c2c(c1)OC1(C)C(C(C(O)(CCC=C(C)C)C)C(O)C1)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.553
InChIKey:ZCIVNYCYXHHFNA-UHFFFAOYSA-N
ID: 113731
SMILES:Oc1cc(C)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.798
InChIKey:KDZOUSULXZNDJH-UHFFFAOYSA-N
ID: 113732
SMILES:c12cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 113733
SMILES:C(CC)CCc1cc2c(c(O)c1)C1CC(O)(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19
InChIKey:AWUDMACGDPCMRJ-UHFFFAOYSA-N
ID: 113734
SMILES:C12c3c(cc(O)c(C(C)=O)c3)OC(C)(C)C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.642
InChIKey:OWGHYVDXMIEHTL-UHFFFAOYSA-N
ID: 113735
SMILES:c1(C#C)cc(O)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 252.357
CB1 binding score: -13.259
InChIKey:ZCJKFTDKMPPDSU-UHFFFAOYSA-N
ID: 113736
SMILES:C1=C(C)CCC2(C)C1c1c(cccc1)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -16.968
InChIKey:YHQZKUZXAYNIIY-UHFFFAOYSA-N