ID: 120100
SMILES:N(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 329.44
CB1 binding score: -15.696
InChIKey:ZOAOPIHJPIKPQD-UHFFFAOYSA-N
ID: 120101
SMILES:c1(OS(=O)(=O)O)c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.549
CB1 binding score: -18.797
InChIKey:NFXWFVNOPLFLRT-UHFFFAOYSA-N
ID: 120102
SMILES:c1(O)cc(C)cc2c1C1C(CC(C(O)(C)C)C1O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -13.57
InChIKey:WYOVAIUFJHVDHA-UHFFFAOYSA-N
ID: 120103
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 120104
SMILES:C1C(C(O)=O)C(C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -14.432
InChIKey:WYVBDJHYWDRBDP-UHFFFAOYSA-N
ID: 120105
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: 120106
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.348
InChIKey:JOYUYYKXKXTPDY-UHFFFAOYSA-N
ID: 120107
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)C(O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.16
InChIKey:CVKOASOLDJIIPJ-UHFFFAOYSA-N
ID: 120108
SMILES:C1(O)C2(C)CCC(C(C)C)(OO2)C=CC(C)C(=O)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.611
CB1 binding score: -15.151
InChIKey:DLYIVYXHADWJJR-UHFFFAOYSA-N
ID: 120109
SMILES:C(=C)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 120110
SMILES:C(CC)CCc1cc(OC)cc2c1CC(O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -15.434
InChIKey:ZVWAXSLSXQAZJY-UHFFFAOYSA-N
ID: 120111
SMILES:c12cc(CCCCCC)cc(OC)c1C1(C)C(C)(C)C(CC1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -15.302
InChIKey:QMJPDPPNSGTJQP-UHFFFAOYSA-N
ID: 120112
SMILES:C1(C=O)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.199
InChIKey:KZQMPOVSRAAPSF-UHFFFAOYSA-N
ID: 120113
SMILES:c1c2c(O)cc(CCCCCC)c(O)c2c(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.214
InChIKey:BEMQLAOECZVFEA-UHFFFAOYSA-N
ID: 120114
SMILES:c1(O)c(C(=O)C2C(C)(CC=C(C)C)Oc3cc(CCCCC)cc(OC)c32)cc(O)c(OC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -15.679
InChIKey:YXFYDYDQFGVOCC-UHFFFAOYSA-N
ID: 120115
SMILES:C=C1C(O)CCC(C)=CCC(C(=C)C)Cc2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.1
InChIKey:BDJLFHRRJIFSGB-UHFFFAOYSA-N
ID: 120116
SMILES:CC(C1C=CC(C)=CC1c1c(O)cc(OC)c(CC=C(C)C)c1O)(CC)OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.223
InChIKey:LJKYVPLDPSRJTF-UHFFFAOYSA-N
ID: 120117
SMILES:CC(C)C1C=CC(C)=CC1c1c(O)cc(CCC)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.116
InChIKey:SJKRDSUGAXHSLX-UHFFFAOYSA-N
ID: 120118
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N
ID: 120119
SMILES:C1(Oc2c(CC=C(C)C)c(O)c(CCN(C)C)c3c2OC(C)(C)C=C3O)C(C(C)C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 483.693
CB1 binding score: -15.82
InChIKey:BTISGSURJXTSHE-UHFFFAOYSA-N
ID: 120120
SMILES:CC1(C)Oc2cc(CCC(C(C)C)C=O)cc(O)c2C2C1(C)CCCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -14.619
InChIKey:BSJGHDZVOOPJTE-UHFFFAOYSA-N