ID: 36751
SMILES:C1(C)(C)C2C3(C=CC1=O)Oc1cc(CCC(=O)O)cc(O)c1C2C(C(C)C)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -14.303
InChIKey:JYTAVBNNBZNUDF-UHFFFAOYSA-N
ID: 36752
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 36753
SMILES:c1(C2COc3cc(CCCCC)cc(OC)c32)ccc(OCC=C(C)CCC=C(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -16.502
InChIKey:JMCJWMJOOLXXHJ-UHFFFAOYSA-N
ID: 36754
SMILES:CC1(C)C2CCC(C)(O)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 36755
SMILES:Oc1c(CC(O)C(O)(C)C)c2c(c(C=O)c1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -15.636
InChIKey:GKDBILHFNJEICA-UHFFFAOYSA-N
ID: 36756
SMILES:C(=C)(C)C1CC=C(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 36757
SMILES:n1(CCCCCCCC)c(O)c(C2C(C(=C)C)CC(O)C(C)=C2)cc1CCC(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 415.618
CB1 binding score: -19.29
InChIKey:ZPPMKESHIYCZOD-UHFFFAOYSA-N
ID: 36758
SMILES:C1(C)=CC(c2ccc(CCCCCCC)cc2)C(C(C)(C)OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.567
CB1 binding score: -15.531
InChIKey:ZAHLPVKBISYWFW-UHFFFAOYSA-N
ID: 36759
SMILES:C(CCC)Cc1cc(O)c(C2OC(C3(C)OC(C(O)(C)C)CC3)=CC(C)(C)C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.712
InChIKey:MMLCOUQFPKQFRZ-UHFFFAOYSA-N
ID: 36760
SMILES:c1(CCCCC)c(O)cc(OC)c2c1OC1(C)C(C2)C(C(CC=C(C(O)=O)C)OC(=O)C)=CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.632
CB1 binding score: -16.439
InChIKey:VVUXZTANVBDBFJ-UHFFFAOYSA-N
ID: 36761
SMILES:C=C1C2(C(OC(C)=O)C(OC(=O)C)C3(C)C1c1c(cc(CCCCC)cc1O)O3)COC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.507
CB1 binding score: -15.82
InChIKey:HVYVHKDEKUTVAX-UHFFFAOYSA-N
ID: 36762
SMILES:OC12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.56
InChIKey:VBPOXSBFZQHISD-UHFFFAOYSA-N
ID: 36763
SMILES:C1(C)Oc2cc(CCCCC)cc(O)c2C2C(CCC(CO)=CC1)C(C)(OC(=O)C)C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.567
CB1 binding score: -16.216
InChIKey:YWOVGEPWTVOWNS-UHFFFAOYSA-N
ID: 36764
SMILES:C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 36765
SMILES:COc1c(O)c(O)cc(O)c1C1C(C(C)=C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.739
InChIKey:VCRLAYWQPOSQEC-UHFFFAOYSA-N
ID: 36766
SMILES:O=C1CC(C(=C)C)C(c2c(O)cc(C)cc2O)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.305
CB1 binding score: -13.38
InChIKey:BGWKMEGGKOEZGB-UHFFFAOYSA-N
ID: 36767
SMILES:C(CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -16.869
InChIKey:QBNNTAONNLXTFB-UHFFFAOYSA-N
ID: 36768
SMILES:OC(=O)CCC(OCC1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CC2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -13.95
InChIKey:SGBUPCTXZKMWSV-UHFFFAOYSA-N
ID: 36769
SMILES:C1(C)(C)Oc2cc(C)cc(O)c2C2(O)C1CC(C)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -15.481
InChIKey:TYMDZUXRVJSCKD-UHFFFAOYSA-N
ID: 36770
SMILES:C=C1C2C(COC(=O)Cc3cc(O)c(O)cc3)(Oc3c(c(O)cc(CCCCC)c3)C2)CC2C1C(=O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.649
CB1 binding score: -11.01
InChIKey:ZDBSEGDYYDTDRU-UHFFFAOYSA-N
ID: 36771
SMILES:C(C=C(C)C)C1C(=O)CC(CC)(C)c2c1c(O)cc(O)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.348
InChIKey:IIZZAZZDVFOABJ-UHFFFAOYSA-N